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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 09:28, 6 December 2011 (Saving copy of the {{chembox}} taken from revid 464245844 of page Chloroacetic_acid for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 09:28, 6 December 2011 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 464245844 of page Chloroacetic_acid for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
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.