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Revision as of 20:03, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 473298789 of page Acrylic_acid for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 20:03, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 470564223 of page Acrylonitrile for the Chem/Drugbox validation project (updated: '').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{chembox {{chembox
| Watchedfields = changed
| verifiedrevid = 443657446
| verifiedrevid = 443368571
| Name = Acrylic acid
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| Reference=<ref>'']'', 11th Edition, '''124'''.</ref>
| ImageFile1 = Acrylic-acid-2D-skeletal.png | ImageFileL1 = Acrylonitrile-2D.png
| ImageSizeL1 = 120 px
| ImageSize1 = 180px
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| ImageName1 = Skeletal formula
| ImageFileR1 = Acrylonitrile-2D-skeletal.png
| ImageFile2 = Acrylic-acid-from-xtal-3D-balls.png
| ImageSizeR1 = 120 px
| ImageSize2 = 200px
| ImageFileL2 = Acrylonitrile-3D-balls.png
| ImageName20 = Ball-and-stick model
| ImageSizeL2 = 120 px
| IUPACName = Prop-2-enoic acid
| ImageFileR2 = Acrylonitrile-3D-vdW.png
| OtherNames = acroleic acid<br />ethylenecarboxylic acid<br />propene acid<br />propenoic acid<br />vinylformic acid
| ImageSizeR2 = 120 px
| IUPACName = 2-propenenitrile
| OtherNames = cyanoethene,<br/>]]
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| Abbreviations =
| ChEBI_Ref = {{ebicite|correct|EBI}}
| InChIKey = NLHHRLWOUZZQLW-UHFFFAOYAG
| ChEBI = 18308
| SMILES1 = C=CC#N
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank = DB02579
| SMILES = O=C(O)C=C
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 6333
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = J94PBK7X8S
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D03397
| InChI = 1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
| InChIKey = NIXOWILDQLNWCW-UHFFFAOYAJ
| SMILES1 = C=CC(=O)O
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 1213529 | ChEMBL = 445612
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) | StdInChI = 1S/C3H3N/c1-2-3-4/h2H,1H2
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = NIXOWILDQLNWCW-UHFFFAOYSA-N | StdInChIKey = NLHHRLWOUZZQLW-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 79-10-7
| CASNo = 107-13-1
| CASNo_Ref = {{cascite|correct|CAS}}
| RTECS = AS4375000 | EINECS =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| PubChem = 6581
| ChemSpiderID=7567
}}
| EINECSCASNO =
| PubChem = 7855
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = MP1U0D42PE
| SMILES = N#CC=C
| InChI = 1/C3H3N/c1-2-3-4/h2H,1H2
| RTECS =
| MeSHName =
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 28217
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = C01998
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 3 | H = 4 | O=2 |C=3|H=3|N=1
| Appearance = clear, colorless liquid | Appearance = Colourless liquid
| Density = 1.051 g/mL | Density = 0.81 g/cm<sup>3</sup>
| MeltingPt = -84 °C(189 ])
| Solubility = Miscible
| MeltingPtC = 14 | Melting_notes =
| BoilingPt = 77 °C (350 ])
| BoilingPtC = 141
| Boiling_notes =
| pKa = 4.35<ref>Dippy, J.F.J., Hughes, S.R.C., Rozanski, A., ''J. Chem Soc.'', '''1959''', 2492.</ref>
| Viscosity = 1.3 ] at {{convert|20|°C|F|abbr=on}} | Solubility = 7 g/100 ] at 20 °C
| SolubleOther =
}}
| Solvent = ], ],<br/>]
| Section3 = {{Chembox Hazards
| LogP =
| ExternalMSDS =
| VaporPressure =
| MainHazards = Corrosive ('''C'''),<br />Dangerous for the<br />environment ('''N''')
| HenryConstant =
| FlashPt = {{convert|68|°C|F|abbr=on}}
| AtmosphericOHRateConstant =
| RPhrases = {{R10}} {{R20/21/22}} {{R35}} {{R50}}
| pKa =
| SPhrases = {{S26}} {{S36/37/39}} {{S45}} {{S61}}
}} | pKb = }}
| Section4 = {{Chembox Related | Section3 = {{Chembox Structure
| CrystalStruct =
| OtherAnions = ]
| Coordination =
| Function = ]s
| MolShape = }}
| OtherFunctn = ]<br />]<br />]<br />]<br />]<br />]<br />]
| Section4 = {{Chembox Thermochemistry
| OtherCpds = ]<br />]<br />]<br />]
| DeltaHf =
}}
| DeltaHc =
| Entropy =
| HeatCapacity = }}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| Legal_status =
| Legal_US =
| Legal_UK =
| Legal_AU =
| Legal_CA =
| PregCat =
| PregCat_AU =
| PregCat_US = }}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor = }}
| Section7 = {{Chembox Hazards
| ExternalMSDS =
| EUClass =
| EUIndex =
| MainHazards = ],<br/>reactive,<br/> toxic
| NFPA-H = 4
| NFPA-F = 3
| NFPA-R = 2
| NFPA-O =
| RPhrases =
| SPhrases =
| RSPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| PEL = }}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunctn =
| Function =
| OtherCpds = ],<br/>]}}
}} }}

Revision as of 20:03, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 470564223 of page Acrylonitrile with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names
IUPAC name 2-propenenitrile
Other names cyanoethene,
vinylcyanide
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
KEGG
PubChem CID
UNII
InChI
  • InChI=1S/C3H3N/c1-2-3-4/h2H,1H2Key: NLHHRLWOUZZQLW-UHFFFAOYSA-N
  • InChI=1/C3H3N/c1-2-3-4/h2H,1H2Key: NLHHRLWOUZZQLW-UHFFFAOYAG
SMILES
  • N#CC=C
  • C=CC#N
Properties
Chemical formula C3H3N
Molar mass 53.064 g·mol
Appearance Colourless liquid
Density 0.81 g/cm
Melting point -84 °C(189 K)
Boiling point 77 °C (350 K)
Solubility in water 7 g/100 mL at 20 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards flammable,
reactive,
toxic
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 4: Very short exposure could cause death or major residual injury. E.g. VX gasFlammability 3: Liquids and solids that can be ignited under almost all ambient temperature conditions. Flash point between 23 and 38 °C (73 and 100 °F). E.g. gasolineInstability 2: Undergoes violent chemical change at elevated temperatures and pressures, reacts violently with water, or may form explosive mixtures with water. E.g. white phosphorusSpecial hazards (white): no code
4 3 2
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkY verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
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