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2-Bromopentanoic acid

2-Bromopentanoic acid structure

CAS No:
584-93-0
Formula:
C5H9BrO2
Chemical Name:
2-Bromopentanoic acid
Synonyms:
Pentanoic acid,2-bromo-;Valeric acid,2-bromo-;2-Bromopentanoic acid;α-Bromovaleric acid;α-Bromopentanoic acid;2-Bromovaleric acid;DL-α-Bromovaleric acid;(±)-α-Bromopentanoic acid;(±)-2-Bromovaleric acid;(±)-2-Bromopentanoic acid;NSC 184;2681-92-7
Categories:
Agrochemicals > Pesticide Intermediates

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Description

Clear pale yellow liquid

2-Bromopentanoic acid Basic Attributes

Molecular Weight：

181.03

Exact Mass：

181.03

BRN：

1721172

EC Number：

209-546-6

NSC Number：

184

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

1.92

Appearance：

Clear pale yellow Liquid

Density：

1.4750 g/cm³ @ Temp: 20 °C

Melting Point：

252 °C (sublm)

Boiling Point：

132-135 °C

Flash Point：

>230 °F

Refractive Index：

1.490

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

23/24/25-34-22

safety instructions：

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

RTECS Number：

YV6191500

Marks：

T,C

Precautionary statement(s)：

P261-P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301 + H311 + H331-H314

GHS Classification：

|Danger|H301 (92.68%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromopentanoic acid Use and Manufacturing

Methods of Manufacturing

The preparation method is to bromide isovaleric acid in the presence of red phosphorus to obtain 2-bromoisovaleryl bromide, and then hydrolyze to obtain 2-bromoisovaleric acid.

Uses

2-Bromoisovaleric acid, also known as α-bromovaline, is an intermediate for fluvalinate and an intermediate for the hypnotic sedative bromoisovalerate.

Manufacturing Info：

Pentanoic acid, 2-bromo-: INACTIVE

Computed Properties

Molecular Weight:181.03
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:179.97859
Monoisotopic Mass:179.97859
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:82.5
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

Phosphorus trichloride