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4-Methylphenyl isocyanate

4-Methylphenyl isocyanate structure

CAS No:
622-58-2
Formula:
C8H7NO
Chemical Name:
4-Methylphenyl isocyanate
Synonyms:
Benzene,1-isocyanato-4-methyl-;Isocyanic acid,p-tolyl ester;1-Isocyanato-4-methylbenzene;p-Tolyl isocyanate;p-Methylphenyl isocyanate;4-Methylphenyl isocyanate;4-Tolyl isocyanate;4-Isocyanatotoluene;p-Isocyanatotoluene;863480-54-0
Categories:
Chemical Reagents > Organic Reagents

Description

CLEAR SLIGHTLY BROWN LIQUID

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

4-Methylphenyl isocyanate Basic Attributes

Molecular Weight：

133.15

Exact Mass：

133.15

BRN：

471494

EC Number：

210-743-4

DSSTox ID：

DTXSID2060755

HScode：

2929109000

Characteristics

PSA：

29.4

XLogP3：

3.04

Appearance：

Clear slightly brown Liquid

Density：

1.0±0.1 g/cm3

Melting Point：

155-156 °C @ Solvent: Acetonitrile, Hexane

Boiling Point：

71-72 °C @ Press: 13 Torr

Flash Point：

152 °F

Refractive Index：

1.519

Storage Conditions：

Refrigerator (+4°C)

Safety Information

Packing level：

Hazard category：

6.1

Transport codes：

2206

wgk germany：

hazard class code：

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

safety instructions：

23-26-45-36/37/39

RTECS Number：

DA3681666

Marks：

Precautionary statement(s)：

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

Hazard Statements：

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

GHS Classification：

|Danger|H302 (98.57%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P272, P273, 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, P333+P313, P337+P313, P342+P311, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 70 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

4-tolyl isocyanate

4-Methylphenyl isocyanate Use and Manufacturing

Uses

Intermediate

Manufacturing Info：

Benzene, 1-isocyanato-4-methyl-: ACTIVE

Computed Properties

Molecular Weight:133.15
XLogP3:3.3
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:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-Methylphenyl isocyanate

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

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