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Cyclohexyl isocyanide

Cyclohexyl isocyanide structure

CAS No:
931-53-3
Formula:
C7H11N
Chemical Name:
Cyclohexyl isocyanide
Synonyms:
Cyclohexane,isocyano-;Cyclohexyl isocyanide;Isocyanocyclohexane;Cyclohexyl isonitrile;Cyclohexaneisonitrile;1-Cyclohexyl isonitrile;1627209-98-6;2408960-28-9
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

colourless liquid

Cyclohexyl isocyanide is an isocyanide having a cyclohexyl group attached to nitrogen. It is a conjugate base of a cyclohexyl isocyanide(1+).

Cyclohexyl isocyanide Basic Attributes

Molecular Weight：

109.17

Exact Mass：

109.089149

EC Number：

213-238-7

NSC Number：

60128

DSSTox ID：

DTXSID90239266

HScode：

2926909090

Characteristics

PSA：

4.4

XLogP3：

1.46910

Appearance：

Clear colorless to slightly brown Liquid

Density：

0.878 g/mL at 25 °C(lit.)

Melting Point：

6ºC

Boiling Point：

56-58 °C @ Press: 11 Torr

Flash Point：

170 °F

Refractive Index：

n20/D 1.45(lit.)

Storage Conditions：

2-8°C

Safety Information

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 2

wgk germany：

hazard class code：

20/21/22-23/24/25

safety instructions：

36/37-45-24/25

Marks：

Xn,T

Stability/Shelf Life：

Stable. Incompatible with strong acids, strong bases, strong reducing agents, strong oxidizing agents. Flammable.

Precautionary statement(s)：

P261-P280-P301 + P310-P311

Hazard Statements：

H301 + H311 + H331

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|Aggregated GHS information provided by 40 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

isocyanocyclohexane

Computed Properties

Molecular Weight:109.17
XLogP3:1.7
Hydrogen Bond Acceptor Count:1
Exact Mass:109.089149355
Monoisotopic Mass:109.089149355
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.: 931-53-3

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