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Benzenepropanenitrile

Benzenepropanenitrile structure

CAS No:
645-59-0
Formula:
C9H9N
Chemical Name:
Benzenepropanenitrile
Synonyms:
Benzenepropanenitrile;Hydrocinnamonitrile;β-Phenylpropionitrile;Benzenepropionitrile;3-Phenylpropionitrile;3-Phenylpropanenitrile;2-Phenylethyl cyanide;(2-Cyanoethyl)benzene;1-Cyano-2-phenylethane;Phenethyl cyanide;1-Phenyl-2-cyanoethane;3-Phenylpropanonitrile;Benzylacetonitrile;Dihydrocinnamonitrile;NSC 16936
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear colorless to light yellow liquid

Liquid

3-phenylpropionitrile is a nitrile that is propionitrile in which one of the methyl hydrogens has been replaced by a phenyl group. It is a nitrile and a member of benzenes. It derives from an acetonitrile.

Benzenepropanenitrile Basic Attributes

Molecular Weight：

131.17400

Exact Mass：

131.17

EC Number：

211-447-8

UNII：

H2Y1JYN13Q

NSC Number：

16936

DSSTox ID：

DTXSID4060949

HScode：

2926909090

Characteristics

PSA：

23.79000

XLogP3：

2.14278

Appearance：

Liquid

Density：

1.0016 g/cm³ @ Temp: 20 °C

Melting Point：

-1 °C

Boiling Point：

261 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.521(lit.)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

R25

safety instructions：

S36/37/39-S45

RTECS Number：

MW5604750

Marks：

T:Toxic;

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301 + H311 + H331

GHS Classification：

|Danger|H301 (81.82%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 55 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Benzenepropanenitrile Use and Manufacturing

Uses

A glucosinolate enzymic hydrolosis product with potential antibacterial activities against plant pathogenic bacteria

Manufacturing Info：

Benzenepropanenitrile: INACTIVE

Computed Properties

Molecular Weight:131.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Benzenepropanenitrile

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Hydrocinnamonitrile

CAS No.: 645-59-0

Content: 99.00%

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Tianjin Jinshu Technology Co., Ltd. Contact Supplier

CN
3 YRS

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Trader Supplier of peptone

China Most Professional Factory Supply High Qulity Hydrocinnamonitrile

CAS No.: 645-59-0

Grade: Pharmaceutical Grade

Content: 99%

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