Dichloroacetic acid methyl ester Structure

Dichloroacetic acid methyl ester

Chemical Properties

Melting point -52 °C (lit.)
Boiling point 143 °C (lit.)
Density  1.381 g/mL at 25 °C (lit.)
refractive index  n20/D 1.442(lit.)
Flash point 176 °F
storage temp.  room temp
solubility  4g/l
form  Liquid
color  Clear colorless
PH 3.8 (4g/l, H2O, 20℃)
Water Solubility  Slightly soluble
BRN  1747542
InChI 1S/C3H4Cl2O2/c1-7-3(6)2(4)5/h2H,1H3
InChIKey HKMLRUAPIDAGIE-UHFFFAOYSA-N
SMILES COC(=O)C(Cl)Cl
CAS DataBase Reference 116-54-1(CAS DataBase Reference)
FDA UNII HG7W497BZU
NIST Chemistry Reference Acetic acid, dichloro-, methyl ester(116-54-1)
EPA Substance Registry System Acetic acid, 2,2-dichloro-, methyl ester (116-54-1)
UNSPSC Code 41116107
NACRES NA.22

Safety

Symbol(GHS) Skull and Crossbones (GHS06)Health Hazard (GHS08)
Signal wordDanger
Hazard statements H301+H311+H331-H315-H319-H341-H227
Precautionary statements P501-P270-P202-P261-P210-P201-P271-P264-P280-P370+P378-P308+P313-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P403+P235-P405
Hazard Codes  Xn,Xi,F
Risk Statements  20-36/37/38-40-38-11
Safety Statements  26-36-37/39-16-24-9
RIDADR  UN 2299
WGK Germany  3
RTECS  AG6625000
TSCA  TSCA listed
HazardClass  6.1
PackingGroup  III
HS Code  29154000
Storage Class 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications Acute Tox. 4 Inhalation
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704:
1
2 0

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