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2-Isocyano-1,4-dimethylbenzene

2-Isocyano-1,4-dimethylbenzene structure

CAS No:
71119-75-0
Formula:
C9H9N
Chemical Name:
2-Isocyano-1,4-dimethylbenzene
Synonyms:
Benzene,2-isocyano-1,4-dimethyl; 2,5-DIMETHYLPHENYL ISOCYANIDE; 2,5-Dimethyl-phenylisocyanid; 2,5-xylyl isocyanide; 5-methyl-o-tolyl isocyanide; 2,5-Dimethyl-benzoisonitril;Expand

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2-Isocyano-1,4-dimethylbenzene Basic Attributes

Molecular Weight：

131.17400

Exact Mass：

131.073499291

DSSTox ID：

DTXSID80397809

Characteristics

PSA：

0.00000

XLogP3：

2.08490

Density：

0.943 g/mL at 25ºC(lit.)

Boiling Point：

87.5-90ºC/12 mmHg(lit.)

Flash Point：

3ºC

Refractive Index：

n20/D 1.1570(lit.)

Safety Information

Transport codes：

UN 1993 3/PG 2

hazard class code：

R11; R20/21/22; R36/37/38

safety instructions：

S16; S26; S36

Marks：

F; Xn

Computed Properties

Molecular Weight:131.17
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Exact Mass:131.073499291
Monoisotopic Mass:131.073499291
Topological Polar Surface Area:4.4
Heavy Atom Count:10
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Isocyano-1,4-dimethylbenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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