478504

3-Isocyanatobenzoyl chloride

95%

• Linear Formula: OCNC₆H₄COCl
• CAS Number: 5180-79-0
• Molecular Weight: 181.58
• MDL number: MFCD00013864
• UNSPSC Code: 12352100
• PubChem Substance ID: 24871519

Properties

• assay: 95%
• refractive index: n20/D 1.5803 (lit.)
• bp: 91 °C/3 mmHg (lit.)
• density: 1.333 g/mL at 25 °C (lit.)
• SMILES string: ClC(=O)c1cccc(c1)N=C=O
• InChI: 1S/C8H4ClNO2/c9-8(12)6-2-1-3-7(4-6)10-5-11/h1-4H
• InChI key: WBLVOWAHPPPNLF-UHFFFAOYSA-N

Description

General description

3-Isocyanatobenzoyl chloride, also known as 2-isocyanato-1-methoxy-4-methylbenzene, is an aryl isocyanate.

Safety Information

• pictograms: GHS08,GHS05,GHS07
• signalword: Danger
• hcodes: H302 + H312 + H332,H314,H317,H334
• pcodes: P261 - P280 - P301 + P312 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Resp. Sens. 1 - Skin Corr. 1B - Skin Sens. 1
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter