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Benzenebutanenitrile

Benzenebutanenitrile structure

CAS No:
2046-18-6
Formula:
C10H11N
Chemical Name:
Benzenebutanenitrile
Synonyms:
Benzenebutanenitrile;Butyronitrile,4-phenyl-;4-Phenylbutyronitrile;(3-Cyanopropyl)benzene;1-Cyano-3-phenylpropane;4-Phenylbutanenitrile;γ-Phenylpropyl cyanide;NSC 1853
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Benzenebutanenitrile Basic Attributes

Molecular Weight：

145.205

Exact Mass：

145.20

EC Number：

218-068-7

UNII：

PNG4BJG1Z6

NSC Number：

1853

DSSTox ID：

DTXSID6062129

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

2.21

Density：

1.0±0.1 g/cm3

Boiling Point：

97-99 °C

Flash Point：

131.7±7.9 °C

Refractive Index：

1.517

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R20/21/22

safety instructions：

S37/39

Marks：

Xn: Harmful;

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302 + H312 + H332-H315-H319-H335

GHS Classification：

|Warning|H302 (97.73%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzenebutanenitrile Use and Manufacturing

Manufacturing Info：

Benzenebutanenitrile: INACTIVE

Computed Properties

Molecular Weight:145.20
XLogP3:2.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:145.089149355
Monoisotopic Mass:145.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:136
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2046-18-6

Grade: Pharmaceutical Grade

Content: 99%

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