245682

3-Chlorophenyl isocyanate

99%

• Synonym(s): 3-Isocyanato chlorobenzene
• Linear Formula: ClC₆H₄NCO
• CAS Number: 2909-38-8
• Molecular Weight: 153.57
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 24854750
• EC Number: 220-822-5
• Beilstein/REAXYS Number: 742445
• MDL number: MFCD00002016
• Assay: 99%
• Form: liquid

Properties

• Quality Segment: 100
• assay: 99%
• form: liquid
• refractive index: n20/D 1.559 (lit.)
• bp: 113-114 °C/43 mmHg (lit.)
• mp: −4 °C (lit.)
• density: 1.26 g/mL at 25 °C (lit.)
• functional group: chloro, isocyanate
• SMILES string: Clc1cccc(c1)N=C=O
• InChI: 1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
• InChI key: HHIRBXHEYVDUAM-UHFFFAOYSA-N

Description

Application

3-Chlorophenyl isocyanate (3-isocyanato chlorobenzene) was used in the preparation of cis-4-[N-(3-chlorophenyl)carbamoloxyl]-2-butenyl-trimethylammoniumiodide.

Safety Information

• pictograms: GHS06,GHS05,GHS09
• signalword: Danger
• hcodes: H314,H317,H330,H410
• pcodes: P260 - P273 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 1 Inhalation - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Skin Corr. 1C - Skin Sens. 1A
• Storage Class: 6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
• wgk: WGK 2
• flash_point_f: 179.6 °F - closed cup
• flash_point_c: 82 °C - closed cup
• ppe: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter