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Revision as of 09:27, 6 December 2011 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464244307 of page Dimethyl_carbonate for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 09:28, 6 December 2011 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 464245844 of page Chloroacetic_acid 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 | Watchedfields = changed
| verifiedrevid = 451435755 | verifiedrevid = 443517877
| Name = Dimethyl carbonate | Name = '''Chloroacetic acid'''
| ImageFile1 = Chloroacetic-acid-2D-skeletal.png
| ImageFile = Dimethyl carbonate Structural Formulae.svg
⚫ | ImageSize1 =
<!-- | ImageSize = 180px -->
| ImageName = Dimethyl carbonate | ImageName1 = Chloroacetic acid
| ImageFile1 = Dimethyl-carbonate-cis-cis-HF-3D-balls.png | ImageFile2 = Chloroacetic-acid-3D-vdW.png
<!-- | ImageSize1 = 150px --> | ImageSize2 = 150px
| ImageName2 = Chloroacetic acid
| ImageName1 = Ball-and-stick model of dimethyl carbonate
| IUPACName = Dimethyl carbonate | IUPACName = Chloroacetic acid
| SystematicName = Chloroethanoic acid
| OtherNames = DMC<br />Methyl carbonate<br />Carbonic acid, dimethyl ester
| Section1 = {{Chembox Identifiers | Section1 = {{Chembox Identifiers
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChEBI = 36596
⚫ | SMILES = COC(=O)OC
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 11526 | ChemSpiderID = 10772140
| UNII_Ref = {{fdacite|correct|FDA}}
| PubChem = 12021
| UNII = 5GD84Y125G
⚫ | InChI = 1/C3H6O3/c1-5-3(4)6-2/h1-2H3
| KEGG_Ref = {{keggcite|correct|kegg}}
| InChIKey = IEJIGPNLZYLLBP-UHFFFAOYAC
| KEGG = D07677
⚫ | InChI = 1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
⚫ | ChEBI = 27869
⚫ | SMILES = ClCC(O)=O
| InChIKey = FOCAUTSVDIKZOP-UHFFFAOYAR
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 14090
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C3H6O3/c1-5-3(4)6-2/h1-2H3 | StdInChI = 1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = IEJIGPNLZYLLBP-UHFFFAOYSA-N | StdInChIKey = FOCAUTSVDIKZOP-UHFFFAOYSA-N
| CASNo_Ref = {{cascite|correct|CAS}} | CASNo = 79-11-8
| CASNo_Ref = {{cascite|correct|CAS}}
| CASNo = 616-38-6 | RTECS = AF8575000
}} }}
| Section2 = {{Chembox Properties | Section2 = {{Chembox Properties
| C=3|H=6|O=3 | C = 2 | H = 3 | Cl = 1 | O = 2
| Appearance = Clear liquid | Appearance = Colorless or white ]s
| Density = 1.069-1.073 g/mL | Density = 1.58&nbsp;g·cm<sup>−3</sup>, solid
| Solubility = 13.9 g/100 mL | Solubility = 85.8&nbsp;g/100mL (25 °C)
| MeltingPtCL = 2 | MeltingPtC = 63
| BoilingPt = 189.3&nbsp;°C, 462.5&nbsp;K, 372.7&nbsp;°F
| MeltingPtCH = 4
| pKa = 2.86<ref>Dippy, J.F.J., Hughes, S.R.C., Rozanski, A., ''J. Chem Soc.'', '''1959''', 2492.</ref>
| BoilingPtC = 90
⚫ | Viscosity =
}} }}
| Section7 = {{Chembox Hazards | Section7 = {{Chembox Hazards
| ExternalMSDS =
| ExternalMSDS =
| MainHazards = Flammable | MainHazards = alkylating agent
| NFPA-H = 3
| NFPA-F = 1 | Reactivity=0
| NFPA-R =
| FlashPt = 126&nbsp;°C
| RPhrases = {{R25}} {{R34}} {{R50}}
| SPhrases = {{S23}} {{S37}} {{S45}} {{S61}}
}}
| Section8 = {{Chembox Related
| OtherCpds = ]<br />]
}} }}
}} }}

Revision as of 09:28, 6 December 2011

This page contains a copy of the infobox ({{chembox}}) taken from revid 464245844 of page Chloroacetic_acid with values updated to verified values.
Chloroacetic acid
Chloroacetic acid
Chloroacetic acid
Names
IUPAC name Chloroacetic acid
Systematic IUPAC name Chloroethanoic acid
Identifiers
CAS Number
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
KEGG
RTECS number
  • AF8575000
UNII
InChI
  • InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)Key: FOCAUTSVDIKZOP-UHFFFAOYSA-N
  • InChI=1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)Key: FOCAUTSVDIKZOP-UHFFFAOYAR
SMILES
  • ClCC(O)=O
Properties
Chemical formula C2H3ClO2
Molar mass 94.49 g·mol
Appearance Colorless or white crystals
Density 1.58 g·cm, solid
Melting point 63 °C (145 °F; 336 K)
Boiling point 189.3 °C, 462.5 K, 372.7 °F
Solubility in water 85.8 g/100mL (25 °C)
Acidity (pKa) 2.86
Hazards
Occupational safety and health (OHS/OSH):
Main hazards alkylating agent
NFPA 704 (fire diamond)
NFPA 704 four-colored diamondHealth 3: Short exposure could cause serious temporary or residual injury. E.g. chlorine gasFlammability 1: Must be pre-heated before ignition can occur. Flash point over 93 °C (200 °F). E.g. canola oilInstability (yellow): no hazard codeSpecial hazards (white): no code
3 1
Flash point 126 °C
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
  1. Dippy, J.F.J., Hughes, S.R.C., Rozanski, A., J. Chem Soc., 1959, 2492.