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2-PHENYLBUTYRONITRILE

2-PHENYLBUTYRONITRILE structure

CAS No:
769-68-6
Formula:
C10H11N
Chemical Name:
2-PHENYLBUTYRONITRILE
Synonyms:
.alpha.-ethyl-Benzeneacetonitrile;alpha-ethyl-benzeneacetonitril;Benzeneacetonitrile,alpha.-ethyl-;Butanenitrile, 2-phenyl;-Phenylbutyronitrile;(2S)-2-phenylbutanenitrile;DL-2-phenylbutyronitrile;a-Ethylphenylacetonitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-PHENYLBUTYRONITRILE Basic Attributes

Molecular Weight：

145.2

Exact Mass：

145.20

EC Number：

212-213-8

NSC Number：

11272|2373

TSCA：

TSCA listed

Color/Form：

Colourless

Characteristics

PSA：

23.79000

XLogP3：

2.70378

Density：

0.974 g/mL at 25 °C(lit.)

Boiling Point：

114-115 °C15 mm Hg(lit.)

Flash Point：

221 °F

Refractive Index：

n20/D1.5086(lit.)

Critical Temperature & Pressure：

Refrigerator, under inert atmosphere

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Xn: Harmful;

Precautionary statement(s)：

P280

Hazard Statements：

20/21/22

RIDADR：

3276

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-PHENYLBUTYRONITRILE Use and Manufacturing

Uses

2-Phenylbutyronitrile is an intermediate in synthesizing rac-Glutethimide (G598150), a hypnotic sedative which was once used to treat insomnia. When taken with codeine, it has an intense euphoric effect on the subject due to the body’s increased ability to convert codeine to morphine.

Manufacturing Info：

Benzeneacetonitrile, .alpha.-ethyl-: INACTIVE

Computed Properties

Molecular Weight:145.20
XLogP3:2.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:145.089149355
Monoisotopic Mass:145.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:148
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-PHENYLBUTYRONITRILE

CAS No.: 769-68-6

Grade: industrial Grade

Content: 98%

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2-PHENYLBUTYRONITRILE 769-68-6

CAS No.: 769-68-6

Grade: Pharmaceutical Grade

Content: 99%

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