Benzyl isothiocyanate, 98%

Description

CAS: 622-78-6 | C8H7NS | 149.211 g/mol

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: 100 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

Safety and Handling

Hazard Category	H302+H312+H332-H315-H319-H334-H335
Hazard Statement	GHS H Statement H331-H334-H351-H314-H318-H302-H312-H317 Toxic if inhaled. May cause allergy or asthma symptoms or breathing difficulties if inhaled. Suspected of causing cancer. Causes severe skin burns and eye damage. Causes serious eye damage. Harmful if swallowed. Harmful in contact with skin. May cause an allergic skin reaction.
Precautionary Statement	P261-P264b-P270-P271-P280-P285-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P342+P311-P362-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE LIQUIDS, TOXIC, N.O.S.
EINECSNumber	210-753-9
RTECSNumber	NX8250000
TSCA	Yes
Recommended Storage	Keep cold

SDS

RUO – Research Use Only