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Diphenylacetonitrile

Diphenylacetonitrile structure

CAS No:
86-29-3
Formula:
C14H11N
Chemical Name:
Diphenylacetonitrile
Synonyms:
Benzeneacetonitrile,α-phenyl-;Acetonitrile,diphenyl-;α-Phenylbenzeneacetonitrile;Dipan;Diphenyl-α-cyanomethane;Diphenylmethyl cyanide;α-Phenylbenzyl cyanide;Diphenatrile;Diphenylacetonitrile;Benzhydryl cyanide;α-Phenylphenylacetonitrile;NSC 130268;NSC 884
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

white to creamy or faint yellow crystalline powder

Diphenylacetonitrile Basic Attributes

Molecular Weight：

193.249

Exact Mass：

193.24

EC Number：

201-662-5

UNII：

QK4W106TKU

NSC Number：

130268|884

DSSTox ID：

DTXSID4020539

HScode：

2926909090

Characteristics

PSA：

23.8

XLogP3：

3.2

Appearance：

white crystal

Density：

1.1±0.1 g/cm3

Melting Point：

74.3 °C

Boiling Point：

182-184 °C @ Press: 11 Torr

Flash Point：

151.6±5.7 °C

Refractive Index：

1.585

Water Solubility：

H2O: INsoluble

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

21.3 hPa (190 °C)

Toxicity：

LD50 orally in Rabbit: 3500 mg/kg

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

RTECS Number：

AL9800000

Marks：

Xi:Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (53.57%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 112 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Diphenylacetonitrile Use and Manufacturing

Uses

Mathadone (M225865) impurity.

Manufacturing Info：

Benzeneacetonitrile, .alpha.-phenyl-: ACTIVE

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:207
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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