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4-Bromobutanoic acid

4-Bromobutanoic acid structure

CAS No:
2623-87-2
Formula:
C4H7BrO2
Chemical Name:
4-Bromobutanoic acid
Synonyms:
Butanoic acid,4-bromo-;Butyric acid,4-bromo-;4-Bromobutanoic acid;4-Bromobutyric acid;γ-Bromobutyric acid;Carboxypropyl bromide;NSC 99322;671195-28-1;2131799-72-7
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

light brown low melting crystals

4-Bromobutanoic acid Basic Attributes

Molecular Weight：

167

Exact Mass：

167.00

BRN：

1743056

EC Number：

220-083-9

NSC Number：

99322

DSSTox ID：

DTXSID8052699

HScode：

29159080

Characteristics

PSA：

37.3

XLogP3：

0.8

Appearance：

Light brown Low Melting Crystals

Density：

1.6±0.1 g/cm3

Melting Point：

42-42.5 °C

Boiling Point：

163-165 °C @ Press: 2 Torr

Flash Point：

115 °C

Refractive Index：

1.495

Water Solubility：

soluble in water and dilute alkali.

Storage Conditions：

2-8°C

Vapor Pressure：

0.00763mmHg at 25°C

Safety Information

Packing level：

Ⅲ

Hazard category：

Transport codes：

UN 3261 8/PG 3

wgk germany：

hazard class code：

safety instructions：

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

Marks：

Hazard note：

Corrosive/Light Sensitive

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H314

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 51 companies from 5 notifications to the ECHA C&L Inventory.

4-Bromobutanoic acid Use and Manufacturing

Uses

A bifunctional cross-linker

Manufacturing Info：

Butanoic acid, 4-bromo-: ACTIVE

Computed Properties

Molecular Weight:167.00
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:165.96294
Monoisotopic Mass:165.96294
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:62.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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