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Home > Encyclopedia > CYCLOHEXANEMETHYL ISOTHIOCYANATE

CYCLOHEXANEMETHYL ISOTHIOCYANATE

CYCLOHEXANEMETHYL ISOTHIOCYANATE structure

CYCLOHEXANEMETHYL ISOTHIOCYANATE 

structure
  • CAS No:

    52395-66-1

  • Formula:

    C8H13NS

  • Chemical Name:

    CYCLOHEXANEMETHYL ISOTHIOCYANATE

  • Synonyms:

    CYCLOHEXANEMETHYL ISOTHIOCYANATE;CYCLOHEXYLMETHYL ISOTHIOCYANATE;(Isothiocyanatomethyl)cyclohexane;Cycloexanemethyl isothiocyanate

  • Categories:

    Chemical Reagents  >  Organic Reagents

CYCLOHEXANEMETHYL ISOTHIOCYANATE Basic Attributes

155.26

155.07700

2079123

-0

400136

DTXSID80200405

29309090

Characteristics

44.4

2.66950

1.02

222-223 °C(lit.)

>230 °F

n20/D 1.5340(lit.)

2-8°C

Safety Information

II

6.1

2810

3

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

23-26-36/37-45

Xn

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

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

|Danger|H302 (97.78%): 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 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:155.26
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:155.07687059
Monoisotopic Mass:155.07687059
Topological Polar Surface Area:44.4
Heavy Atom Count:10
Complexity:132
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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