Template:Chembox/testcases3

__EXPECTUNUSEDTEMPLATE__

All parameters used, per section

Chembox development (talk central, overview, sandboxes, testcases) WT:CHEMISTRY WT:CHEMICALS

/sandbox: {{Cbox}} ·  · d · src {{Ident}} ·  · d · src {{Props}} ·  · d · src {{Struct}} ·  · src {{Explo}} ·  · src {{Thermo}} ·  · src {{Pharma}} ·  · src {{Hazards}} ·  · src {{Related}} ·  · src {{Suppl}} ·  · src {{Footer}} ·  · src {{header}} ·  · src Chembox/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit · Module:no) cat:Chembox templates · TPU cat:tracking cats: tracked params · unk params · wd trackings testcases: Template:Chembox/testcases -- General /testcases2 -- Identifiers /testcases3 -- All parameters used /testcases4 -- Long names; show/hide /testcases5 -- Indexes /testcases6 -- per (full) section; Thermo, Explosive /testcases7images /testcases8 -- Pharma -- ATC code, pregnancy, legal, preg cat, PLLR, pharmakinetics /testcases9 -- Properties — molecular formula, molar mass, /testcases10 -- Hazards — LD50, NIOSH, GHS /testcases11 -- Structure, datapage (/ 11 has ... 11/(data page)), styles; container_only /testcases12 -- General (tc page) /testcases_(set) -- (set) subsections /testcases_wd -- wd /testcases15 -- test bot templates RC recent changes Chembox+Drugbox templates · Chembox articles WP:CHEMVAL: bot: Settings.css · Settings/sandbox · {{cascite}} External site using Chembox: http://www.cheminfo.org/wikipedia/ cheminfo.org module:TemplatePar · Template:Chembox templatePar/formatPreviewMessage Infobox drug/sandbox (edit · t · history · diff · links · /test · Source · e · t · hist · links · /subpages · /doc · /doc edit)

Chembox top section

Somename

Names
IUPAC name IUPACname
Preferred IUPAC name PIN
Systematic IUPAC name Sysname
Other names katrina, john
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Somename

Names
IUPAC name IUPACname
Preferred IUPAC name PIN
Systematic IUPAC name Sysname
Other names katrina, john
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Explosive

Chembox/testcases3

Explosive data
Shock sensitivity	ss
Friction sensitivity	frs
Detonation velocity	detv
RE factor	ref
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Explosive data
Shock sensitivity	ss
Friction sensitivity	frs
Detonation velocity	detv
RE factor	ref
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Hazards

Carbon monoxide

Hazards
Occupational safety and health (OHS/OSH):
Main hazards	mnhaz
Ingestion hazards	inges
Inhalation hazards	inhal
Eye hazards	eye
Skin hazards	skin
GHS labelling:
Pictograms	ghpics
Signal word	ghwrd [→Category:GHS errors]
Hazard statements	hph
Precautionary statements	ppph
NFPA 704 (fire diamond)	<imagemap> File:NFPA 704.svg|80px|alt=NFPA 704 four-colored diamond poly 150 150 300 300 150 450 0 300 Health 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroform poly 300 0 450 150 300 300 150 150 Flammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oil poly 450 150 600 300 450 450 300 300 Instability 3: Capable of detonation or explosive decomposition but requires a strong initiating source, must be heated under confinement before initiation, reacts explosively with water, or will detonate if severely shocked. E.g. hydrogen peroxide poly 300 300 450 450 300 600 150 450 Special hazard W: Reacts with water in an unusual or dangerous manner. E.g. sodium, sulfuric acid desc none </imagemap> 2 1 3 W
Flash point	fpt −173 to 27 °C; −280 to 80 °F; 100 to 300 K note
Autoignition temperature	somewhere < 25 °C (77 °F; 298 K) nots
Explosive limits	lim
Threshold limit value (TLV)	tlv, twa (TWA), stel (STEL), tlvc (C)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	ld50
LC50 (median concentration)	lc50
NIOSH (US health exposure limits):
PEL (Permissible)	pel
REL (Recommended)	rel
IDLH (Immediate danger)	idlh
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Carbon monoxide

Hazards
Occupational safety and health (OHS/OSH):
Main hazards	mnhaz
Ingestion hazards	inges
Inhalation hazards	inhal
Eye hazards	eye
Skin hazards	skin
GHS labelling:
Pictograms	ghpics
Signal word	ghwrd [→Category:GHS errors]
Hazard statements	hph
Precautionary statements	ppph
NFPA 704 (fire diamond)	<imagemap> File:NFPA 704.svg|80px|alt=NFPA 704 four-colored diamond poly 150 150 300 300 150 450 0 300 Health 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroform poly 300 0 450 150 300 300 150 150 Flammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oil poly 450 150 600 300 450 450 300 300 Instability 3: Capable of detonation or explosive decomposition but requires a strong initiating source, must be heated under confinement before initiation, reacts explosively with water, or will detonate if severely shocked. E.g. hydrogen peroxide poly 300 300 450 450 300 600 150 450 Special hazard W: Reacts with water in an unusual or dangerous manner. E.g. sodium, sulfuric acid desc none </imagemap> 2 1 3 W
Flash point	fpt −173 to 27 °C; −280 to 80 °F; 100 to 300 K note
Autoignition temperature	somewhere < 25 °C (77 °F; 298 K) nots
Explosive limits	lim
Threshold limit value (TLV)	tlv, twa (TWA), stel (STEL), tlvc (C)
Lethal dose or concentration (LD, LC):
LD50 (median dose)	ld50
LC50 (median concentration)	lc50
NIOSH (US health exposure limits):
PEL (Permissible)	pel
REL (Recommended)	rel
IDLH (Immediate danger)	idlh
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Identifiers

Chembox/testcases3

Identifiers
CAS Number	casno0 casno0cmt casno1 casno1cmt t1e2s3t4t444
3D model (JSmol)	smi0cmt: Interactive image smi1cmt: Interactive image
3DMet	3dmet
Abbreviations	abbr/sbox
Beilstein Reference	beilst
ChEBI	CHEBI:chebi
ChEMBL	ChEMBLChembl0 ChEMBLChembl2 ChEMBLChembl4
ChemSpider	spi0 spi0cmt spi4
DrugBank	drubsbk
EC Number	einecs
Gmelin Reference	geme
IUPHAR/BPS	iupharlig
KEGG	kegg
MeSH	meshname
PubChem CID	pc0 pc0cmt pc2 pc2cmt pcooo
RTECS number	rtecs
UNII	unii0 unii1 uni5
UN number	unnnr
InChI InChI=/S inchiooo
SMILES smi0cmt: smi0 smi1cmt: smi1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Identifiers
CAS Number	casno0 casno0cmt casno1 casno1cmt t1e2s3t4t444
3D model (JSmol)	smi0cmt: Interactive image smi1cmt: Interactive image
3DMet	3dmet
Abbreviations	abbr
Beilstein Reference	beilst
ChEBI	CHEBI:chebi
ChEMBL	ChEMBLChembl0 ChEMBLChembl2 ChEMBLChembl4
ChemSpider	spi0 spi0cmt spi4
DrugBank	drubsbk
EC Number	einecs
Gmelin Reference	geme
IUPHAR/BPS	iupharlig
KEGG	kegg
MeSH	meshname
PubChem CID	pc0 pc0cmt pc2 pc2cmt pcooo
RTECS number	rtecs
UNII	unii0 unii1 uni5
UN number	unnnr
InChI InChI=/S inchiooo
SMILES smi0cmt: smi0 smi1cmt: smi1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

InChI

CASNo5=none

Chembox/testcases3

Identifiers
CAS Number	999 333 none
InChI InChI=1/Sabc InChI=1/abc InChI=1/abc InChI=1/abc InChI= InChI=InChI
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

inchi test

Identifiers
CAS Number	999 333 none
InChI InChI=1/Sabc InChI=1/abc InChI=1/abc InChI=1/abc InChI=InChI
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Props

Chembox/testcases3

Properties
Chemical formula	form
Molar mass	312.3456 mm_notes
Appearance	appear
Odor	odrodour
Density	dens
Melting point	mp
Boiling point	bp −42 to −42 °C; −44 to −43 °F; 231 to 231 K
Sublimation conditions	subc
Solubility in water	sol
Solubility product (Ksp) of prodass	prod
Solubility in london	soloth
Solubility in so1	sl1
Solubility in solv5	solu5
log P	logp
Henry's law constant (kH)	hc
Atmospheric OH rate constant	ohc
Acidity (pKa)	pka
Basicity (pKb)	pkb
Isoelectric point	isopt
UV-vis (λmax)	lab
Absorbance	abs
Band gap	bgap
Electron mobility	elmob
Chiral rotation ([α]D)	spec
Magnetic susceptibility (χ)	magsus
Thermal conductivity	thermc
Refractive index (nD)	refr
Viscosity	visc
Critical relative humidity	crithr
Dipole moment	dip
Hybridisation	orb
Specific Surface Area	spec
Pore volume	porev
Average Pore Size	avgpore
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	form
Molar mass	312.3456 mm_notes
Appearance	appear
Odor	odrodour
Density	dens
Melting point	mp
Boiling point	bp −42 to −42 °C; −44 to −43 °F; 231 to 231 K
Sublimation conditions	subc
Solubility in water	sol
Solubility product (Ksp) of prodass	prod
Solubility in london	soloth
Solubility in so1	sl1
Solubility in solv5	solu5
log P	logp
Henry's law constant (kH)	hc
Atmospheric OH rate constant	ohc
Acidity (pKa)	pka
Basicity (pKb)	pkb
Isoelectric point	isopt
UV-vis (λmax)	lab
Absorbance	abs
Band gap	bgap
Electron mobility	elmob
Chiral rotation ([α]D)	spec
Magnetic susceptibility (χ)	magsus
Thermal conductivity	thermc
Refractive index (nD)	refr
Viscosity	visc
Critical relative humidity	crithr
Dipole moment	dip
Hybridisation	orb
Specific Surface Area	spec
Pore volume	porev
Average Pore Size	avgpore
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Formula & Molar Mass (param change)

OLD

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

OLD - no Round

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

new

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

no round

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

mixed

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C1H2
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

C=1, H=2 & Molar Mass (param change)

OLD

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

OLD - no Round

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

new

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

no round

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

mixed

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Chembox/testcases3

Properties
Chemical formula	C10H20
Molar mass	555.12345678 mm_notes
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Pharma

See also Template:Chembox/testcases8.

drugb, ATC

Pharmacology
ATC code	aprefasuff (WHO) asuppl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

drugb, ATC

Pharmacology
ATC code	aprefasuff (WHO) asuppl
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Related

Chembox/testcases3

Related compounds
Other anions	-
Other cations	Phosphine Arsine Stibine
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Chembox/testcases3

Related compounds
Other anions	-
Other cations	Phosphine Arsine Stibine
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Structure

Chembox/testcases3

Structure
Crystal structure	Face-centered cubic, cF1924
Space group	Fm3m, No. 225
Point group	-
Lattice constant	a = 1.4154 nm, b = -, c = - α = 40.4°, β = 90°, γ = 90°
Coordination geometry	octahedral at Fe
Molecular shape	Linear
Hybridisation	-
Dipole moment	2.98 D
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Chembox/testcases3

Structure
Crystal structure	Face-centered cubic, cF1924
Space group	Fm3m, No. 225
Point group	-
Lattice constant	a = 1.4154 nm, b = -, c = - α = 40.4°, β = 90°, γ = 90°
Coordination geometry	octahedral at Fe
Molecular shape	Linear
Hybridisation	-
Dipole moment	2.98 D
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Supplement

Chembox/testcases3

Supplementary data page
[[]]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Chembox/testcases3

Supplementary data page
[[]]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Thermo

Carbon monoxide

Thermochemistry
Heat capacity (C)	29.1 J/K mol
Std molar entropy (S⦵298)	197.7 J·mol−1·K−1
Std enthalpy of formation (ΔfH⦵298)	−110.5 kJ·mol−1
Gibbs free energy (ΔfG⦵)	x
Std enthalpy of combustion (ΔcH⦵298)	−283.4 kJ/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Carbon monoxide

Thermochemistry
Heat capacity (C)	29.1 J/K mol
Std molar entropy (S⦵298)	197.7 J·mol−1·K−1
Std enthalpy of formation (ΔfH⦵298)	−110.5 kJ·mol−1
Gibbs free energy (ΔfG⦵)	x
Std enthalpy of combustion (ΔcH⦵298)	−283.4 kJ/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

Chembox Footer

Chembox/testcases3

Names
IUPAC names Azane
Preferred IUPAC name 3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
Systematic IUPAC name SNpo/usahrgpierw/uhgpieqruhgphg()opib()[]oihb/77%()lkhbg)_i[&&&77]
Other names Hydrogen nitride Trihydrogen nitride Nitro-Sil
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Tracking categories (test):

Chembox/testcases3

Names
IUPAC names Azane
Preferred IUPAC name 3-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanamido]propanoic acid
Systematic IUPAC name SNpo/usahrgpierw/uhgpieqruhgphg()opib()[]oihb/77%()lkhbg)_i[&&&77]
Other names Hydrogen nitride Trihydrogen nitride Nitro-Sil
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Y verify (what is YN ?) Infobox references

Tracking categories (test):

empty secs

all sec

Explosive data
RE factor	RF
Identifiers
CAS Number
3D model (JSmol)
3DMet
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard
EC Number
E number
Gmelin Reference	gm
IUPHAR/BPS
KEGG
PubChem CID
RTECS number
UNII
CompTox Dashboard (EPA)
Pharmacology
Pharmacokinetics:
Excretion	xcr
Properties
Molar mass
Odor	odr
Related compounds
Other anions	oa
Structure
Point group	pg
Thermochemistry
Std molar entropy (S⦵298)	ent
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

all sec

Explosive data
RE factor	RF
Identifiers
CAS Number
3D model (JSmol)
3DMet
ChEBI
ChEMBL
ChemSpider
DrugBank
ECHA InfoCard
EC Number
E number
Gmelin Reference	gm
IUPHAR/BPS
KEGG
PubChem CID
RTECS number
UNII
CompTox Dashboard (EPA)
Pharmacology
Pharmacokinetics:
Excretion	xcr
Properties
Molar mass
Odor	odr
Related compounds
Other anions	oa
Structure
Point group	pg
Thermochemistry
Std molar entropy (S⦵298)	ent
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

LC50/LD50

ld50 - lc50

Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)	fityy
LC50 (median concentration)	sixty
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):

ld50 - lc50

Hazards
Lethal dose or concentration (LD, LC):
LD50 (median dose)	fityy
LC50 (median concentration)	sixty
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Tracking categories (test):