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2-Cyanobenzeneacetonitrile

2-Cyanobenzeneacetonitrile structure

CAS No:
3759-28-2
Formula:
C9H6N2
Chemical Name:
2-Cyanobenzeneacetonitrile
Synonyms:
Benzeneacetonitrile,2-cyano-;o-Tolunitrile,α-cyano-;2-Cyanobenzeneacetonitrile;α-Cyano-o-tolunitrile;o-Cyanobenzyl cyanide;α-Cyano-o-toluonitrile;1-Cyano-2-(cyanomethyl)benzene;(o-Cyanophenyl)acetonitrile;2-Cyanobenzyl cyanide;(2-Cyanophenyl)acetonitrile;Homophthalonitrile;2-(Cyanomethyl)benzonitrile;NSC 340237
Categories:
Organic Chemistry > Coordination Complexes

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Description

beige to brown powder and/or chunks

2-Cyanobenzeneacetonitrile Basic Attributes

Molecular Weight：

142.16

Exact Mass：

142.16

EC Number：

223-167-3

NSC Number：

340237

DSSTox ID：

DTXSID80191026

HScode：

2926909090

Characteristics

PSA：

47.6

XLogP3：

1.5

Appearance：

beige to brown powder and/or chunks

Density：

1.1±0.1 g/cm3

Melting Point：

79-80 °C

Boiling Point：

293.8°C at 760 mmHg

Flash Point：

140.7±14.3 °C

Refractive Index：

1.553

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R23/24/25

safety instructions：

S26-S27-S28-S36/37/39

RTECS Number：

XV0930000

Marks：

T:Toxic;

Precautionary statement(s)：

P280

Hazard Statements：

H302 + H312 + H332

GHS Classification：

|Warning|H302 (97.87%): 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 47 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Cyanobenzeneacetonitrile Use and Manufacturing

The synthesis procedure of (E)-2-(2-(1-phenyl-4, 5-dihydro-1H-pyrazol-3-yl)vinyl)benzonitrile (PY-oCN) was performed by the following steps (Fig. 3). At first 2-(bromomethyl)benzonitrile was synthesized also as an intermediate for the next pyrazoline derivative (PY-oCNCN). First 2-methylbenzonitrile (25 g, 0.21 mol) was dissolved in 150 cm

Computed Properties

Molecular Weight:142.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:142.053098200
Monoisotopic Mass:142.053098200
Topological Polar Surface Area:47.6
Heavy Atom Count:11
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Cyanobenzeneacetonitrile

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Cyanobenzeneacetonitrile

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