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4,6-Dimethyl-isophthalonitrile

4,6-Dimethyl-isophthalonitrile structure

CAS No:
17309-31-8
Formula:
C10H8N2
Chemical Name:
4,6-Dimethyl-isophthalonitrile
Synonyms:
4,6-dimethylisophthalonitrile;4,6-dimethylbenzene-1,3-dicarbonitrile;SCHEMBL5945887;ZINC393388;AKOS004905051;MCULE-4425893031

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4,6-Dimethyl-isophthalonitrile Basic Attributes

Molecular Weight：

156

Exact Mass：

156.069

EC Number：

-0

Characteristics

PSA：

47.6

XLogP3：

2.1

Melting Point：

150 - 151 °C (acetic acid)

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:156.18
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Exact Mass:156.068748264
Monoisotopic Mass:156.068748264
Topological Polar Surface Area:47.6
Heavy Atom Count:12
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4,6-Dimethyl-isophthalonitrile

Basic Attributes
Characteristics
Safety Information
Computed Properties

4,6-Dimethyl-isophthalonitrile

SDS

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