Skip to Content
Merck
All Photos(2)

Key Documents

View All Documentation

Safety Information

478245

Sigma-Aldrich

3-Chloro-4-methylphenyl isocyanate

98%

Sign Into View Organizational & Contract Pricing
All Photos(2)

About This Item

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.)

functional group

chloro
isocyanate

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

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

Flash Point(F)

228.2 °F - closed cup

Flash Point(C)

109 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

478245-5G:
478245-BULK:
478245-VAR:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCJ9338
MKCG5205
MKBQ9290V
MKBP4792V
MKBP4051V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Joshua R Brown et al.
Bioorganic & medicinal chemistry, 19(18), 5585-5595 (2011-08-16)
The treatment of tuberculosis is becoming more difficult due to the ever increasing prevalence of drug resistance. Thus, it is imperative that novel anti-tuberculosis agents, with unique mechanisms of action, be discovered and developed. The direct anti-tubercular testing of a
Utsab Manna et al.
Dalton transactions (Cambridge, England : 2003), 46(31), 10374-10386 (2017-07-27)
A meta-phenylenediamine-based disubstituted bis-urea receptor L1 with electron-withdrawing 3-chloro and electron-donating 4-methylphenyl terminals has been established as a potential system to fix and efficiently capture atmospheric CO

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service