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Revision as of 19:50, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 477101262 of page Acetic_acid for the Chem/Drugbox validation project (updated: 'KEGG').← Previous edit Revision as of 19:50, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 474078001 of page Acetic_anhydride 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
| verifiedrevid = 452568053
| Verifiedfields = changed
| Name = Acetic anhydride
| verifiedrevid = 476998154
| ImageFile3 = Acetic acid.jpg | ImageFile = Acetic anhydride-2D-skeletal.png
| ImageSize = 150px
| ImageFile3_Ref = {{chemboximage|correct|??}}
| ImageName = Acetic anhydride
| ImageSize3 = 244
| ImageFile1 = Acetic-anhydride-3D-vdW.png
| ImageName3 = Sample of acetic acid in a reagent bottle
| ImageSize1 = 150px
| ImageFileL1 = Acetic-acid-2D-skeletal.svg
| ImageName1 = Acetic anhydride
| ImageFileL1_Ref = {{chemboximage|correct|??}}
| ImageFile2 = Acetic anhydride electron density.PNG
| ImageSizeL1 = 121
| ImageSize1 = 150px
| ImageNameL1 = Skeletal formula of acetic acid
| ImageFileR1 = Acetic-acid-CRC-GED-3D-vdW-B.png | ImageName1 = Acetic anhydride
| IUPACName = acetic anhydride
| ImageFileR1_Ref = {{chemboximage|correct|??}}
| SystematicName = ethanoic anhydride
| ImageSizeR1 = 121
| OtherNames = Ethanoyl ethanoate<br/>Acetic acid anhydride<br/>Acetyl acetate<br >Acetyl oxide<br/>Acetic oxide
| ImageNameR1 = Spacefill model of acetic acid
| ImageFileL2 =Acetic-acid-2D-flat.png
| ImageFileL2_Ref = {{chemboximage|correct|??}}
| ImageSizeL2 = 121
| ImageNameL2 = Skeletal formula of acetic acid with all explicit hydogens added
| ImageFileR2 = Acetic-acid-CRC-GED-3D-balls-B.png
| ImageFileR2_Ref = {{chemboximage|correct|??}}
| ImageSizeR2 = 121
| ImageNameR2 = Ball and stick model of acetic acid
| IUPACName = Acetic acid<ref>{{cite book | title=A Guide to IUPAC Nomenclature of Organic Compounds (Recommendations 1993) | publisher=Blackwell Scientific publications | author=IUPAC, Commission on Nomenclature of Organic Chemistry | year=1993 | chapter = Table 28(a) Carboxylic acids and related groups.Unsubstituted parent structures | url = http://www.acdlabs.eu/iupac/nomenclature/93/r93_705.htm }}</ref><ref>{{Cite web|url = http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=176|title = Acetic Acid - PubChem Public Chemical Database|work = The PubChem Project|location = USA|publisher = National Center for Biotechnology Information}}</ref>
| SystematicName = Ethanoic acid<ref name="BB-prs310305"/>
| OtherNames = Methanecarboxylic acid<ref>{{cite book|title=Scientific literature reviews on generally recognized as safe (GRAS) food ingredients|publisher=National Technical Information Service|year=1974|page=1}}</ref><ref>"Chemistry", volume 5, Encyclopedia Britannica, 1961, page 374</ref>
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
| ChEBI_Ref = {{ebicite|correct|EBI}}
| Abbreviations = AcOH
| CASNo = 64-19-7 | ChEBI = 36610
| SMILES = O=C(OC(=O)C)C
| CASNo_Ref = {{cascite|correct|CAS}}
| UNII_Ref = {{fdacite|correct|FDA}}
| PubChem = 176
| UNII = 2E48G1QI9Q
| PubChem_Ref = {{Pubchemcite|correct|pubchem}}
| InChIKey = WFDIJRYMOXRFFG-UHFFFAOYAH
| ChemSpiderID = 171
| SMILES1 = CC(=O)OC(=O)C
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| UNII = Q40Q9N063P
| StdInChI = 1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
| UNII_Ref = {{fdacite|correct|FDA}}
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| EINECS = 200-580-7
| StdInChIKey = WFDIJRYMOXRFFG-UHFFFAOYSA-N
| UNNumber = 2789
| CASNo = 108-24-7
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| CASNo_Ref = {{cascite|correct|CAS}}
| DrugBank = DB03166
| PubChem = 7918
| KEGG = <!-- blanked - oldvalue: D00010 -->
| EINECS = 203-564-8
| KEGG_Ref = {{keggcite|changed|kegg}}
| MeSHName = Acetic+acid | RTECS = AK1925000
| InChI = 1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI = 15366
| ChEMBL = 539 | ChemSpiderID = 7630
}}
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| IUPHAR_ligand = 1058
| RTECS = AF1225000
| ATCCode_prefix = G01
| ATCCode_suffix = AD02
| ATC_Supplemental = {{ATC|S02|AA10}}
| Beilstein = 506007
| Gmelin = 1380
| 3DMet = B00009
| SMILES = CC(O)=O
| StdInChI = 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = QTBSBXVTEAMEQO-UHFFFAOYSA-N
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
}}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C = 2 | C = 4
| H = 4 | H = 6
| O = 2 | O = 3
| Appearance = clear liquid
| ExactMass = 60.021129372 g mol<sup>-1</sup>
| Appearance = Colourless liquid | Density = 1.082 g cm<sup>−3</sup>, liquid
| Solubility = 2.6 g/100 mL, ''see text''
| Density = 1.049 g cm<sup>-3</sup>
| Solubility = Miscible | MeltingPtC = −73.1
| MeltingPtKL = 289 | BoilingPtC = 139.8
| MeltingPtKH = 290 | RefractIndex = 1.3901
}}
| BoilingPtKL = 391
| Section3 = {{Chembox Structure
| BoilingPtKH = 392
| LogP = -0.322 | Dipole =
}}
| pKa = 4.792
| Section7 = {{Chembox Hazards
| pKb = 9.198
| ExternalMSDS =
| Viscosity = 1.22 mPa s
| Dipole = 1.74 D | EUClass = Corrosive ('''C''')
| EUIndex = 607-008-00-9
}}
| RPhrases = {{R10}}, {{R20/22}}, {{R34}}
| Section4 = {{Chembox Thermochemistry
| SPhrases = {{S1/2}}, {{S26}}, {{S36/37/39}}, {{S45}}
| DeltaHf = -483.88--483.16 kJ mol<sup>-1</sup>
| NFPA-H = 2
| DeltaHc = -875.50--874.82 kJ mol<sup>-1</sup>
| NFPA-F = 2
| Entropy = 158.0 J K<sup>-1</sup> mol<sup>-1</sup>
| NFPA-R = 1
| HeatCapacity = 123.1 J K<sup>-1</sup> mol<sup>-1</sup>
| NFPA-O = W
}}
| FlashPt = 49 °C
| Section5 = {{Chembox Hazards
| Autoignition = 316 °C
| GHSPictograms = {{GHS02}} {{GHS05}}
| ExploLimits = 2.7–10.3%
| GHSSignalWord = Danger
}}
| HPhrases = {{H-phrases|226|314}}
| Section8 = {{Chembox Related
| PPhrases = {{P-phrases|280|305+351+338|310}}
| Function = ]s
| EUIndex = 607-002-00-6
| OtherFunctn = ]
| EUClass = {{Hazchem C}}
| OtherCpds = ]<br/>]
| RPhrases = {{R10}}, {{R35}}
}}
| SPhrases = {{S1/2}}, {{S23}}, {{S26}}, {{S45}}
| NFPA-F = 2
| NFPA-H = 3
| NFPA-R = 1
| FlashPt = 40 °C
| Autoignition = 400 °C
| LD50 = 3.31 g kg<sup>-1</sup>, oral (rat)
}}
| Section6 = {{Chembox Related
| Function = ]s
| OtherFunctn = ]<br />]
| OtherCpds = ]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]<br />
]
}}
}} }}

Revision as of 19:50, 16 February 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 474078001 of page Acetic_anhydride with values updated to verified values.
Acetic anhydride
Acetic anhydride
Acetic anhydride
Names
IUPAC name acetic anhydride
Systematic IUPAC name ethanoic anhydride
Other names Ethanoyl ethanoate
Acetic acid anhydride
Acetyl acetate
Acetyl oxide
Acetic oxide
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChemSpider
EC Number
  • 203-564-8
PubChem CID
RTECS number
  • AK1925000
UNII
InChI
  • InChI=1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3Key: WFDIJRYMOXRFFG-UHFFFAOYSA-N
  • InChI=1/C4H6O3/c1-3(5)7-4(2)6/h1-2H3Key: WFDIJRYMOXRFFG-UHFFFAOYAH
SMILES
  • O=C(OC(=O)C)C
  • CC(=O)OC(=O)C
Properties
Chemical formula C4H6O3
Molar mass 102.089 g·mol
Appearance clear liquid
Density 1.082 g cm, liquid
Melting point −73.1 °C (−99.6 °F; 200.1 K)
Boiling point 139.8 °C (283.6 °F; 412.9 K)
Solubility in water 2.6 g/100 mL, see text
Refractive index (nD) 1.3901
Hazards
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 2: Intense or continued but not chronic exposure could cause temporary incapacitation or possible residual injury. E.g. chloroformFlammability 2: Must be moderately heated or exposed to relatively high ambient temperature before ignition can occur. Flash point between 38 and 93 °C (100 and 200 °F). E.g. diesel fuelInstability 1: Normally stable, but can become unstable at elevated temperatures and pressures. E.g. calciumSpecial hazard W: Reacts with water in an unusual or dangerous manner. E.g. sodium, sulfuric acid
2 2 1W
Flash point 49 °C
Explosive limits 2.7–10.3%
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