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Isocyanobenzene

Isocyanobenzene structure

CAS No:
931-54-4
Formula:
C7H5N
Chemical Name:
Isocyanobenzene
Synonyms:
Benzene,isocyano-;Phenyl isocyanide;Isocyanobenzene;Phenyl isonitrile;Benzoisonitrile;128202-85-7
Categories:
Chemical Reagents > Organic Reagents

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Description

Phenyl isocyanide is an isocyanide.

Isocyanobenzene Basic Attributes

Molecular Weight：

103.12

Exact Mass：

103.042198

EC Number：

213-239-2

DSSTox ID：

DTXSID50239267

Characteristics

PSA：

4.4

XLogP3：

1.46810

Density：

1.0248 (rough estimate)

Boiling Point：

50.5 °C

Vapor Pressure：

2.40 mmHg

Safety Information

hazard class code：

20/21/22

safety instructions：

26-36/37/39

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

phenylisocyanide

Computed Properties

Molecular Weight:103.12
XLogP3:1.6
Hydrogen Bond Acceptor Count:1
Exact Mass:103.042199164
Monoisotopic Mass:103.042199164
Topological Polar Surface Area:4.4
Heavy Atom Count:8
Complexity:103
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 931-54-4

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