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β-Phenylbenzenepropanenitrile

β-Phenylbenzenepropanenitrile structure

CAS No:
2286-54-6
Formula:
C15H13N
Chemical Name:
β-Phenylbenzenepropanenitrile
Synonyms:
Benzenepropanenitrile,β-phenyl-;Propionitrile,3,3-diphenyl-;β-Phenylbenzenepropanenitrile;3,3-Diphenylpropionitrile;3,3-Diphenylpropanenitrile
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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β-Phenylbenzenepropanenitrile Basic Attributes

Molecular Weight：

207.276

Exact Mass：

207.27

EC Number：

218-926-0

DSSTox ID：

DTXSID40177402

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.3

Density：

1.1±0.1 g/cm3

Melting Point：

88.5 °C

Boiling Point：

175-178 °C @ Press: 2 Torr

Flash Point：

194.4±5.7 °C

Refractive Index：

1.575

Vapor Pressure：

1.15E-05mmHg at 25°C

Safety Information

RTECS Number：

UG1700000

Precautionary statement(s)：

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, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (25%): 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 5 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:207.27
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:207.104799419
Monoisotopic Mass:207.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:16
Complexity:219
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3,3-Diphenylpropiononitrile

CAS No.: 2286-54-6

Grade: industrial Grade

Content: 98%

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Guide of β-Phenylbenzenepropanenitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties
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β-Phenylbenzenepropanenitrile

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