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Difluoroacetic acid

Difluoroacetic acid structure

CAS No:
381-73-7
Formula:
C2H2F2O2
Chemical Name:
Difluoroacetic acid
Synonyms:
Acetic acid,2,2-difluoro-;Acetic acid,difluoro-;2,2-Difluoroacetic acid;Difluoroacetic acid;1537910-57-8
Categories:
Chemical Reagents > Organic Reagents

Description

clear colorless to light brown liquid

Difluoroacetic acid is a monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines. It is a monocarboxylic acid and an organofluorine compound. It derives from an acetic acid. It is a conjugate acid of a difluoroacetate.

Difluoroacetic acid Basic Attributes

Molecular Weight：

96.033

Exact Mass：

96.03

EC Number：

206-839-0

UNII：

ZQK1C95K3N

DSSTox ID：

DTXSID2059932

HScode：

2915900090

Characteristics

PSA：

37.3

XLogP3：

0.22

Density：

1.530 g/cm³ @ Temp: 20 °C

Melting Point：

-1 °C

Boiling Point：

133 °C

Flash Point：

78.9±0.0 °C

Refractive Index：

1.314

Water Solubility：

10.41 M

Henrys Law Constant：

3.30e-08 atm-m3/mole

Safety Information

Packing level：

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

R35

safety instructions：

S26-S36/37/39-S45

RTECS Number：

AG9900000

Marks：

C:Corrosive;

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

GHS Classification：

|Danger|H227: Combustible liquid [Warning Flammable liquids]|P210, P260, P264, P273, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P391, P403+P235, P405, and P501

Drug Information

MeSH Entry Terms：

difluoroacetate

Difluoroacetic acid Use and Manufacturing

Manufacturing Info：

Acetic acid, 2,2-difluoro-: ACTIVE

Computed Properties

Molecular Weight:96.03
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:96.00228563
Monoisotopic Mass:96.00228563
Topological Polar Surface Area:37.3
Heavy Atom Count:6
Complexity:60.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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