478245

3-Chloro-4-methylphenyl isocyanate

98%

• 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

Properties

• 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

Description

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

Safety Information

• Pictograms: GHS06,GHS08,GHS05,GHS09
• Signal Word: Danger
• Hazard Statements: H302 + H312,H314,H317,H330,H334,H335,H410
• Precautionary Statements: P273 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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