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4-Bromobutyronitrile

4-Bromobutyronitrile structure

CAS No:
5332-06-9
Formula:
C4H6BrN
Chemical Name:
4-Bromobutyronitrile
Synonyms:
Butanenitrile,4-bromo-;Butyronitrile,4-bromo-;4-Bromobutanenitrile;3-Bromopropyl cyanide;4-Bromobutyronitrile;3-Cyanopropyl bromide;1-Bromo-3-cyanopropane;NSC 3972
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Colorless to yellow liquid

4-Bromobutyronitrile Basic Attributes

Molecular Weight：

148.003

Exact Mass：

148.00

EC Number：

226-236-6

UNII：

ZL4S2TPT2V

NSC Number：

3972

DSSTox ID：

DTXSID5063786

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

Appearance：

Colorless to yellow liquid

Density：

1.4967 g/cm³ @ Temp: 20 °C

Melting Point：

104-105 °C

Boiling Point：

206 °C

Flash Point：

103.9±0.0 °C

Refractive Index：

1.470

Water Solubility：

Miscible with toluene and benzene. Immiscible with water.

Storage Conditions：

2-8ºC

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 2

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S36/37

RTECS Number：

ET8925000

Marks：

Xn:Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

GHS Classification：

|Danger|H301 (13.33%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P405, and P501|Aggregated GHS information provided by 45 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Bromobutyronitrile Use and Manufacturing

Manufacturing Info：

Butanenitrile, 4-bromo-: ACTIVE

Computed Properties

Molecular Weight:148.00
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:146.96836
Monoisotopic Mass:146.96836
Topological Polar Surface Area:23.8
Heavy Atom Count:6
Complexity:61.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5332-06-9

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4-BROMOBUTYRONITRILE

CAS No.: 5332-06-9

Content: 99.00%

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