Benzyl isothiocyanate, 98%, Thermo Scientific Chemicals

Description

Benzyl isothiocyanate is used in a synthesis of 2-phenylpyrimidine-4-thiones from Benzoyl­acetonitrile. Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
Benzyl isothiocyanate is used in a synthesis of 2-phenylpyrimidine-4-thiones from Benzoyl­acetonitrile. Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine.

Solubility
Hydrolyzes in water.

Notes
Moisture Sensitive. Store away from strong oxidizing agents. Keep container tightly closed. Store in cool, dry conditions in well sealed containers.

Specifications

Chemical Identifiers

• CAS: 622-78-6
• Molecular Formula: C8H7NS
• Molecular Weight (g/mol): 149.211
• MDL Number: MFCD00004819
• InChI Key: MDKCFLQDBWCQCV-UHFFFAOYSA-N
• Synonym: benzyl isothiocyanate, isothiocyanatomethyl benzene, benzyl mustard oil, benzylisothiocyanate, benzylsenfoel, tromacaps, tromalyt, urogran, isothiocyanic acid, benzyl ester, benzyl-isothiocyanate
• PubChem CID: 2346
• ChEBI: CHEBI:17484
• IUPAC Name: isothiocyanatomethylbenzene
• SMILES: C1=CC=C(C=C1)CN=C=S

• Density: 1.125
• Boiling Point: 242°C to 243°C
• Flash Point: >110°C (230°F)
• Odor: Pungent
• Refractive Index: 1.603
• Quantity: 5 g
• UN Number: UN2922
• Beilstein: 386135
• Sensitivity: Moisture sensitive
• Solubility Information: Hydrolyzes in water.
• Formula Weight: 149.22
• Percent Purity: 98%
• Chemical Name or Material: Benzyl isothiocyanate

RUO – Research Use Only