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4-Biphenylacetonitrile

4-Biphenylacetonitrile structure

CAS No:
31603-77-7
Formula:
C14H11N
Chemical Name:
4-Biphenylacetonitrile
Synonyms:
TIMTEC-BB SBB005894;P-PHENYL BENZYL CYANIDE;biphenylacetonitrile;(1,1`-biphenyl)-4-acetonitrile;4-Biphenylacetonitrile,97%;4-BIPHENYL-ACETONITRILE 98%;4-BIPHENYL ACETONITRILE 98+%;p-Biphenylacetonitrile

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Description

White crystalline powder

4-Biphenylacetonitrile Basic Attributes

Molecular Weight：

193.24

Exact Mass：

193.089142

BRN：

1867255

EC Number：

1533716-785-6

NSC Number：

114981

DSSTox ID：

DTXSID50185492

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.2

Density：

1.1±0.1 g/cm3

Melting Point：

88-92 °C(lit.)

Boiling Point：

146-150°C0,03mm

Flash Point：

146-150°C/0.03m

Refractive Index：

1.581

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Biphenylacetonitrile Use and Manufacturing

Used as an antipyretic and analgesic intermediate in ethyl biphenylacetate

Computed Properties

Molecular Weight:193.24
XLogP3:3.2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:193.089149355
Monoisotopic Mass:193.089149355
Topological Polar Surface Area:23.8
Heavy Atom Count:15
Complexity:223
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Biphenylacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

4-Biphenylacetonitrile

SDS

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