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4-METHOXYPHTHALONITRILE

4-METHOXYPHTHALONITRILE structure

CAS No:
80323-72-4
Formula:
C9H6N2O
Chemical Name:
4-METHOXYPHTHALONITRILE
Synonyms:
4-METHOXYPHTHALONITRILE;4-methoxybenzene-1,2-dicarbonitrile;SCHEMBL9560109;CTK3E5757;ZINC578756;AKOS003646698;1,2-Benzenedicarbonitrile, 4-methoxy-;MCULE-4464290489;ST45172258

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4-METHOXYPHTHALONITRILE Basic Attributes

Molecular Weight：

158.15700

Exact Mass：

158.04800

Characteristics

PSA：

56.81000

XLogP3：

1.43856

Density：

1.19g/cm3

Melting Point：

205-209ºC(lit.)

Boiling Point：

317.6ºC at 760 mmHg

Flash Point：

137.4ºC

Refractive Index：

1.55

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

20/21/22

safety instructions：

22-26-36/37/39-45

Marks：

Precautionary statement(s)：

P280

Hazard Statements：

H302-H312-H332

Computed Properties

Molecular Weight:158.16
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:158.048012819
Monoisotopic Mass:158.048012819
Topological Polar Surface Area:56.8
Heavy Atom Count:12
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-METHOXYPHTHALONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-METHOXYPHTHALONITRILE

SDS

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