478253

3-Chloro-2-methylphenyl isocyanate

98%

• Linear Formula: ClC₆H₃(CH₃)NCO
• CAS Number: 40397-90-8
• Molecular Weight: 167.59
• MDL number: MFCD00037036
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871482

Properties

• Assay: 98%
• refractive index: n20/D 1.56 (lit.)
• bp: 95 °C/9 mmHg (lit.)
• density: 1.247 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: Cc1c(Cl)cccc1N=C=O
• InChI: 1S/C8H6ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
• InChI key: NGQMCUWZGVMILT-UHFFFAOYSA-N

Description

General description

3-Chloro-2-methylphenyl isocyanate, also known as 1-chloro-3-isocyanato-2-methylbenzene, is an organic building block containing an isocyanate group. Its Raman spectra, infrared spectra, ab initio and density functional theory (DFT) calculations have been reported.

Application

3-Chloro-2-methylphenyl isocyanate may be used in the preparation of 4-(3-chloro-2-methylphenyl)-1-(8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carbonyl)semicarbazide.

Safety Information

• Pictograms: GHS08,GHS07
• Signal Word: Danger
• Hazard Statements: H302 + H312 + H332,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 230.0 °F - closed cup
• Flash Point(C): 110 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves