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Home > Encyclopedia > CYCLOHEPTYLISOCYANATE

CYCLOHEPTYLISOCYANATE

CYCLOHEPTYLISOCYANATE structure

CYCLOHEPTYLISOCYANATE 

structure
  • CAS No:

    4747-68-6

  • Formula:

    C7H13NCO

  • Chemical Name:

    CYCLOHEPTYLISOCYANATE

  • Synonyms:

    Cycloheptyl isocyanate;Isocyanatocycloheptane;cycloheptylisocyanate;ACMC-1AQXR;Cycloheptyl isocyanate, 97%;SCHEMBL770478;CTK4J0027;DTXSID80391746;ZINC6293128;GEO-03217

CYCLOHEPTYLISOCYANATE Basic Attributes

139.19500

139.10000

DTXSID80391746

2929109000

Characteristics

29.43000

2.04500

1.051 g/mL at 25ºC(lit.)

188-189ºC(lit.)

163 °F

n20/D 1.4680(lit.)

Safety Information

UN 2206 6.1/PG 3

3

20/21/22-36/37/38-42

23-26-36-45

Xn

P261-P280-P305 + P351 + P338-P342 + P311

H302-H312-H315-H319-H332-H334-H335

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P285, P301+P312, P302+P352, P304+P312, P304+P340, P304+P341, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:139.19
XLogP3:3.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:139.099714038
Monoisotopic Mass:139.099714038
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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