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Bromophenylacetic acid

Bromophenylacetic acid structure

CAS No:
4870-65-9
Formula:
C8H7BrO2
Chemical Name:
Bromophenylacetic acid
Synonyms:
Benzeneacetic acid,α-bromo-;Acetic acid,bromophenyl-;α-Bromobenzeneacetic acid;Bromophenylacetic acid;α-Bromophenylacetic acid;2-Bromo-2-phenylacetic acid;α-Bromo-α-phenylacetic acid;(±)-α-Bromobenzeneacetic acid;DL-α-Bromophenylacetic acid;(±)-α-Bromophenylacetic acid;NSC 59241;(RS)-2-Bromo-2-phenylacetic acid;31302-84-8;861203-01-2
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Beige crystalline powder

Bromophenylacetic acid Basic Attributes

Molecular Weight：

215.04

Exact Mass：

215.04

EC Number：

225-477-4

NSC Number：

59241

HScode：

29163900

Characteristics

PSA：

37.3

XLogP3：

2.3

Appearance：

white crystal

Density：

1.6±0.1 g/cm3

Melting Point：

87 °C

Boiling Point：

120-121 °C @ Press: 0.02 Torr

Flash Point：

127.2±21.8 °C

Refractive Index：

1.606

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3261 8/PG 2

wgk germany：

hazard class code：

34-36/37

safety instructions：

26-27-28-36/37/39-45

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338-P310

Hazard Statements：

H314-H335

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Bromophenylacetic acid Use and Manufacturing

Methods of Manufacturing

30.0 ml dry two neck bottles and a condensation device, adding 2-phenyl acetic acid (376 mg, 2 . 77mmol), N-bromo succinimide (540 mg, 3 . 05mmol) and carbon tetrachloride (5.5 ml), stirring, add azodiisobutanenitrile (23 mg, 0 . 14mmol), 77 °C heating to reflux, the reaction under stirring 2 hours, by nuclear magnetic resonance spectral (DL-Mandelic acid 1b (30.4 g; 0.20 mol) was gradually introduced into a solution of 40percent HBr (56 mL) and concentrated Hdl-Mandelic acid 1 (30.4 g; 0.20 mol) was gradually introduced into a solution of 40percent HBr (56 mL) and concentrated H

Uses

Used as pharmaceutical intermediate

Computed Properties

Molecular Weight:215.04
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:213.96294
Monoisotopic Mass:213.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:141
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes