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4-METHOXY-3-METHYLPHENYLACETONITRILE

4-METHOXY-3-METHYLPHENYLACETONITRILE structure

CAS No:
75391-57-0
Formula:
C10H11NO
Chemical Name:
4-METHOXY-3-METHYLPHENYLACETONITRILE
Synonyms:
NISTC75391570;2-(4-methoxy-3-methylphenyl)acetonitrile;2-(4-methoxy-3-methyl-phenyl)ethanenitrile;4-METHOXY-3-METHYLPHENYLACETONITRILE;Benzeneacetonitrile, 4-methoxy-3-methyl-

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4-METHOXY-3-METHYLPHENYLACETONITRILE Basic Attributes

Molecular Weight：

161.2

Exact Mass：

161.084063974 g/mol

DSSTox ID：

DTXSID20226341

HScode：

2926909090

Characteristics

PSA：

33.02000

XLogP3：

2.06968

Density：

1,06 g/cm3

Boiling Point：

127°C 2mm

Flash Point：

116.5ºC

Refractive Index：

1.517

Safety Information

Hazard category：

IRRITANT, IRRITANT-HARMFUL

Marks：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:161.20
XLogP3:1.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:161.084063974
Monoisotopic Mass:161.084063974
Topological Polar Surface Area:33
Heavy Atom Count:12
Complexity:182
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-METHOXY-3-METHYLPHENYLACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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