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4-Methylphenylacetonitrile

4-Methylphenylacetonitrile structure

CAS No:
2947-61-7
Formula:
C9H9N
Chemical Name:
4-Methylphenylacetonitrile
Synonyms:
Benzeneacetonitrile,4-methyl-;Acetonitrile,p-tolyl-;4-Methylbenzeneacetonitrile;p-Methylbenzyl cyanide;(p-Methylphenyl)acetonitrile;p-Tolylacetonitrile;4-Methylbenzyl cyanide;4-Methylphenylacetonitrile;4-Methylbenzylnitrile;2-(p-Tolyl)acetonitrile;2-(4-Methylphenyl)acetonitrile;4-Methylbenzyl isocyanide
Categories:
Pharmaceutical Intermediates > Analgesics

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Description

Clear colorless to faintly yellow liquid

4-Methylphenylacetonitrile Basic Attributes

Molecular Weight：

131.17

Exact Mass：

131.17

BRN：

1099645

EC Number：

220-963-2

DSSTox ID：

DTXSID90183674

HScode：

29269095

Characteristics

PSA：

23.8

XLogP3：

2.1

Appearance：

Clear colorless to faintly yellow Liquid

Density：

1.0±0.1 g/cm3

Melting Point：

18 °C

Boiling Point：

242.5 °C

Flash Point：

223 °F

Refractive Index：

1.527

Storage Conditions：

Store below +30°C.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 3276 6.1/PG 3

wgk germany：

hazard class code：

20/21/22-36/37/38

safety instructions：

26-37/39-36/37-24/25

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H319

GHS Classification：

|Warning|H302 (13.04%): 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 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Methylphenylacetonitrile Use and Manufacturing

Used as an intermediate in spices, dyes and pharmaceuticals

Computed Properties

Molecular Weight:131.17
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:23.8
Heavy Atom Count:10
Complexity:134
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 2947-61-7

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Latest News on 4-Methylphenylacetonitrile

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Guide of 4-Methylphenylacetonitrile

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

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