Benzyl isothiocyanate, 98%

Product Code. 11497237

Brand: Thermo Scientific Alfa Aesar A15008.14

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: 25 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

Product Identifier

• Benzyl isothiocyanate

Signal Word

• Danger

Hazard Category

• Acute toxicity Category 4
• Serious eye damage/eye irritation Category 2
• Respiratory sensitiser Category 1
• Skin corrosion/irritation Category 2
• Specific target organ toxicity Category 3

Hazard Statement

• H302-Harmful if swallowed.
• H312-Harmful in contact with skin.
• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H332-Harmful if inhaled.
• H334-May cause allergy or asthma symptoms or breathing difficulties if inhaled.
• H335-May cause respiratory irritation.

Precautionary Statement

• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P301+P330+P331-IF SWALLOWED: rinse mouth. Do NOT induce vomiting.
• P304+P340-IF INHALED: Remove person to fresh air and keep comfortable for breathing.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
• P310-Immediately call a POISON CENTER/doctor/.
• P332+P313-If skin irritation occurs: Get medical advice/attention.
• P337+P313-If eye irritation persists: Get medical advice/attention.

Supplemental information

• MIXTURE LIST-Contains : Benzyl isothiocyanate

SDS

RUO – Research Use Only