13929

Benzyl thiocyanate

≥95.0% (GC)

• Synonym(s): Benzyl rhodanide
• Linear Formula: C₆H₅CH₂SCN
• CAS Number: 3012-37-1
• Molecular Weight: 149.21
• UNSPSC Code: 12352100
• NACRES: NA.22
• PubChem Substance ID: 57647122
• EC Number: 221-144-2
• Beilstein/REAXYS Number: 1859726
• MDL number: MFCD00001832
• Assay: ≥95.0% (GC)
• Form: solid

Properties

• Quality Level: 100
• assay: ≥95.0% (GC)
• form: solid
• bp: 230-235 °C (lit.)
• mp: 39-41 °C
• solubility: diethyl ether: soluble 0.5 g/10 mL, clear to very faintly turbid, colorless to almost colorless
• functional group: phenyl, thiocyanate, thioether
• storage temp.: 2-8°C
• SMILES string: N#CSCc1ccccc1
• InChI: 1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
• InChI key: ABNDFSOIUFLJAH-UHFFFAOYSA-N

Description

General description

Benzyl thiocyanate undergoes regioselective bond dissociation during its electrochemical reduction in acetonitrile at an inert electrode. It is added to stimulate the chlortetracycline biosynthesis during industrial fermentations. It undergoes biotransformation into dibenzyl disulphide by Streptomyces aureofaciens.

Application

Benzyl thiocyanate was used to study the effects of various dietary compounds on the α-hydroxylation of N-nitrosopyrrolidine in male F344 rats in vitro.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H412
• pcodes: P261 - P273 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3
• supp_hazards: EUH032
• Storage Class: 8A - Combustible corrosive hazardous materials
• wgk: WGK 3
• flash_point_f: 230.0 °F
• flash_point_c: 110 °C
• ppe: dust mask type N95 (US), Eyeshields, Gloves