261653

Benzoyl isothiocyanate

98%

• Synonym(s): Benzoylthiocarbimide, N-Benzoyl isothiocyanate
• Linear Formula: C₆H₅CONCS
• CAS Number: 532-55-8
• Molecular Weight: 163.20
• Beilstein: 606716
• EC Number: 208-540-0
• MDL number: MFCD00004815
• UNSPSC Code: 12352100
• PubChem Substance ID: 24855828
• NACRES: NA.22

Properties

• Assay: 98%
• form: liquid
• refractive index: n20/D 1.6354 (lit.)
• bp: 128-131 °C/15 mmHg (lit.)
• density: 1.214 g/mL at 25 °C (lit.)
• functional group: amine; isothiocyanate; phenyl
• storage temp.: 2-8°C
• SMILES string: O=C(N=C=S)c1ccccc1
• InChI: 1S/C8H5NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h1-5H
• InChI key: CPEKAXYCDKETEN-UHFFFAOYSA-N

Description

Application

Benzoyl isothiocyanate has been used in the preparation of:

• 1-benzoyl-3-(5-chloro-2-hydroxyphenyl)thiourea, new thiourea derivative
• guanine

Safety Information

• Pictograms: GHS06,GHS05
• Signal Word: Danger
• Hazard Statements: H301,H317,H318
• Precautionary Statements: P280 - P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338 + P310
• Hazard Classifications: Acute Tox. 3 Oral - Eye Dam. 1 - Skin Sens. 1
• Supplementary Hazards: EUH032
• Storage Class Code: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves