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Home > Encyclopedia > 3,4-Dimethylphenyl isocyanate

3,4-Dimethylphenyl isocyanate

3,4-Dimethylphenyl isocyanate structure

3,4-Dimethylphenyl isocyanate 

structure
  • CAS No:

    51163-27-0

  • Formula:

    C9H9NO

  • Chemical Name:

    3,4-Dimethylphenyl isocyanate

  • Synonyms:

    Benzene,4-isocyanato-1,2-dimethyl-;4-Isocyanato-1,2-dimethylbenzene;3,4-Dimethylphenyl isocyanate;3,4-Xylyl isocyanate;1-Isocyanato-3,4-dimethylbenzene

Description

3,4-dimethylphenyl isocyanate is an isocyanate that consists of phenyl isocyanate bearing two additional methyl substituents at positions 3 and 4. It has a role as a hapten.

3,4-Dimethylphenyl isocyanate Basic Attributes

147.17400

147.17

DTXSID50402752

2929109000

Characteristics

29.43000

2.27070

1.051g/cm3

85ºC

198ºF

n20/D 1.536(lit.)

Safety Information

III

6.1

UN 2206 6.1/PG 2

R23/25; R36/37/38; R42

S23-S26-S36/37/39-S45

Xn

|Warning|H302 (90.48%): 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 42 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:147.17
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:147.068413911
Monoisotopic Mass:147.068413911
Topological Polar Surface Area:29.4
Heavy Atom Count:11
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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