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2-Methylphenyl isocyanate

2-Methylphenyl isocyanate structure

CAS No:
614-68-6
Formula:
C8H7NO
Chemical Name:
2-Methylphenyl isocyanate
Synonyms:
Benzene,1-isocyanato-2-methyl-;Isocyanic acid,o-tolyl ester;1-Isocyanato-2-methylbenzene;o-Tolyl isocyanate;o-Methylphenyl isocyanate;2-Methylphenyl isocyanate;o-Toluene isocyanate;2-Tolyl isocyanate
Categories:
Chemical Reagents > Organic Reagents

Description

clear colorless to light yellow liquid

2-tolyl isocyanate is an isocyanate comprising a benzene core with isocyanato- and methyl substituents ortho to each other. It has a role as a hapten. It is a member of isocyanates and a member of toluenes.

2-Methylphenyl isocyanate Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

BRN：

507985

EC Number：

210-389-0

DSSTox ID：

DTXSID7052286

HScode：

29299010

Characteristics

PSA：

29.4

XLogP3：

1.96230

Appearance：

Clear colorless to light yellow Liquid

Density：

1.074 g/mL at 25 °C(lit.)

Boiling Point：

185 °C

Flash Point：

198 °F

Refractive Index：

n20/D 1.535(lit.)

Water Solubility：

Hydrolyzes in water.

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

UN 2206 6.1/PG 2

wgk germany：

hazard class code：

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

safety instructions：

23-26-45-36/37/39

RTECS Number：

DA3678333

Marks：

Xn,Xi

Hazard note：

Irritant

Precautionary statement(s)：

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

Hazard Statements：

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

GHS Classification：

|Danger|H302 (75.96%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P284, P285, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P304+P341, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P342+P311, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 104 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Methylphenyl isocyanate Use and Manufacturing

Manufacturing Info：

Benzene, 1-isocyanato-2-methyl-: INACTIVE

Computed Properties

Molecular Weight:133.15
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:133.052763847
Monoisotopic Mass:133.052763847
Topological Polar Surface Area:29.4
Heavy Atom Count:10
Complexity:149
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 614-68-6

Grade: Pharmaceutical Grade

Content: 99%

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Guide of 2-Methylphenyl isocyanate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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2-Methylphenyl isocyanate

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