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2-Phenylpropionitrile

2-Phenylpropionitrile structure

CAS No:
1823-91-2
Formula:
C9H9N
Chemical Name:
2-Phenylpropionitrile
Synonyms:
Benzeneacetonitrile,α-methyl-;Hydratroponitrile;α-Methylbenzeneacetonitrile;α-Phenylpropionitrile;2-Phenylpropionitrile;α-Methylbenzyl cyanide;α-Phenylethyl cyanide;2-Phenylpropanenitrile;α-Cyanoethylbenzene;α-Methylphenylacetonitrile;dl-α-Phenylethyl isocyanide;(±)-2-Phenylpropionitrile;dl-2-Phenylpropionitrile;(±)-α-Methylbenzeneacetonitrile;(±)-α-Methylbenzyl cyanide;NSC 11264;NSC 37485;42253-96-3
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

CLEAR VERY SLIGHTLY YELLOW LIQUID

2-Phenylpropionitrile Basic Attributes

Molecular Weight：

131.17

Exact Mass：

131.17

BRN：

774576

EC Number：

217-354-9

NSC Number：

37485|11264

HScode：

29269090

Characteristics

PSA：

23.8

XLogP3：

2.31368

Appearance：

clear very slightly yellow liquid

Density：

0.98542 g/cm³ @ Temp: 20 °C

Melting Point：

210 °C @ Solvent: Diethyl ether, Chloroform

Boiling Point：

231 °C

Flash Point：

201 °F

Refractive Index：

n 20/D 1.5106(lit.)

Vapor Pressure：

0.0311mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-27-37/39

Marks：

Xn,Xi

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H302-H312-H315-H319-H332-H335

GHS Classification：

|Danger|H301 (10.2%): 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, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 49 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2-phenylpropionitrile

2-Phenylpropionitrile Use and Manufacturing

Manufacturing Info：

Benzeneacetonitrile, .alpha.-methyl-: INACTIVE

Computed Properties

Molecular Weight:131.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:136
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 1823-91-2

Content: 99.00%

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2-Phenylpropanenitrile

CAS No.: 1823-91-2

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