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478245

Sigma-Aldrich

3-Chloro-4-methylphenyl isocyanate

98%

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Linear Formula:
ClC6H3(CH3)NCO
CAS Number:
28479-22-3
Molecular Weight:
167.59
EC Number:
249-050-7
MDL number:
MFCD00013858
UNSPSC Code:
12352100
PubChem Substance ID:
24871480
NACRES:
NA.22

Quality Level

100

Assay

98%

refractive index

n20/D 1.557 (lit.)

bp

107 °C/3 mmHg (lit.)

density

1.224 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

Cc1ccc(cc1Cl)N=C=O

InChI

1S/C8H6ClNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3

InChI key

UKTKKMZDESVUEE-UHFFFAOYSA-N

Related Categories

General description

3-Chloro-4-methylphenyl isocyanate, also known as 2-chloro-4-isocyanato-1-methylbenzene, is an organic building block containing an isocyanate group. It is formed during the photochemical degradation of linuron.

Application

3-Chloro-4-methylphenyl isocyanate may be used in the synthesis of the following urea compounds:
  • 1-(1-(1-adamantyl)methyl)-3-(3-chloro-4-methylphenyl)urea
  • 1-(3-chloro-4-methylphenyl)-3-heptylurea
  • 1-(3-chloro-4-methylphenyl)-3-cyclooctylurea
  • 1-(3-chloro-4-methylphenyl)-3-(3-fluorobenzyl)urea
  • 1-(3-chloro-4-methylphenyl)-3-(4-phenylbutan-2-yl)urea

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 4 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 1

Flash Point(F)

228.2 °F

Flash Point(C)

109 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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