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Home > Encyclopedia > 3-METHYLBENZYL ISOCYANATE

3-METHYLBENZYL ISOCYANATE

3-METHYLBENZYL ISOCYANATE structure

3-METHYLBENZYL ISOCYANATE 

structure
  • CAS No:

    61924-25-2

  • Formula:

    C9H9NO

  • Chemical Name:

    3-METHYLBENZYL ISOCYANATE

  • Synonyms:

    3-METHYLBENZYL ISOCYANATE;3-Methbenzylisocyanate;1-(isocyanatomethyl)-3-methylbenzene;3-Methylbenzyl isocyanate,97%;3-Methylbenzyl isocyanate 98%

  • Categories:

    Chemical Reagents  >  Organic Reagents

Description

clear colorless to yellow liquid

3-METHYLBENZYL ISOCYANATE Basic Attributes

147.17

147.068420

DTXSID40369885

2929109000

Characteristics

29.4

3.07

1.0±0.1 g/cm3

34-36 °C0.1 mm Hg(lit.)

225 °F

1.515

2-8°C

Safety Information

UN 2206 6.1/PG 3

3

20/21/22-36/37/38

26-36

Xn

P261-P280-P305 + P351 + P338

H302-H312-H315-H319-H332-H335

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, 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:147.17
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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