253782

4-Chlorophenyl isothiocyanate

99%

• Linear Formula: ClC₆H₄NCS
• CAS Number: 2131-55-7
• Molecular Weight: 169.63
• Beilstein: 471610
• EC Number: 218-358-3
• MDL number: MFCD00004810
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855328
• NACRES: NA.22

Properties

• Assay: 99%
• bp: 135-136 °C/24 mmHg (lit.)
• mp: 42-44 °C (lit.)
• functional group: chloro; isothiocyanate
• SMILES string: Clc1ccc(cc1)N=C=S
• InChI: 1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
• InChI key: MZZVFXMTZTVUFO-UHFFFAOYSA-N

Description

Application

4-Chlorophenyl isothiocyanate has been used in the synthesis of thiosemicarbazides. It was also used as building block for the synthesis of N-alkylated 2-arylaminobenzimidazoles.

Safety Information

• Pictograms: GHS06,GHS08
• Signal Word: Danger
• Hazard Statements: H301 + H311 + H331,H315,H317,H319,H334,H335
• Precautionary Statements: P261 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 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): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves