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α,α-Difluorophenylacetic acid

α,α-Difluorophenylacetic acid structure

CAS No:
360-03-2
Formula:
C8H6F2O2
Chemical Name:
α,α-Difluorophenylacetic acid
Synonyms:
DIFLUORO(PHENYL)ACETIC ACID;2,2-DIFLUORO-2-PHENYLACETIC ACID;A,A-DIFLUOROPHENYLACETIC ACID;ALPHA,ALPHA-DIFLUOROPHENYLACETIC ACID;alpha-Difluoro-benzeneacetic acid;ɑ,ɑ-Difluorophenylacetic acid, 99%;2,3-DIFLUOROPHENYLACETIC ACID 95+%;2,3-DIFLUUOROPHENYL ACETIC ACID
Categories:
Organic Chemistry > Organic Fluorine Compound

Description

white to light yellow crystal powde

α,α-Difluorophenylacetic acid is a phenylacetic acid with two fluorides on the benzylic carbon. The inductive effect of the difluoromethyl group increases the acidity of α,α-difluorophenylacetic acid. α,α-difluorophenylacetic acid and 2-arylbenzoimidazoles could be used as reaction substrates to synthesise difluoroarymethyl-substituted benzimidazo[2,1-a]isoquinolin-6(5H)-ones through radical cascade cyclization[1].

α,α-Difluorophenylacetic acid Basic Attributes

Molecular Weight：

172.13

Exact Mass：

172.033585

EC Number：

623-610-4

Color/Form：

White to Pale Yellow

HScode：

2916399090

Characteristics

PSA：

37.30000

XLogP3：

2.91

Density：

1.338±0.06 g/cm3(Predicted)

Melting Point：

65-75 °C

Boiling Point：

0°C

Flash Point：

0°C

Refractive Index：

1.491

PKA：

1.04±0.10(Predicted)

Critical Temperature & Pressure：

Refrigerator, Under inert atmosphere

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN3261

wgk germany：

hazard class code：

C,Xi,Xn

safety instructions：

26-36-36/37-36/37/39

Marks：

C,Xi,Xn

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38

RIDADR：

UN3261

GHS Classification：

|Danger|H314 (13.33%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

α,α-Difluorophenylacetic acid Use and Manufacturing

Used as medicine, pesticide, liquid crystal material intermediate

Computed Properties

Molecular Weight:172.13
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:172.03358575
Monoisotopic Mass:172.03358575
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of α,α-Difluorophenylacetic acid

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
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α,α-Difluorophenylacetic acid

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