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Benzyl isothiocyanate, 98%

Product Code. 11497237
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5 g
25 g
100 g
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25g
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Product Code. 11497237

Brand: Thermo Scientific Alfa Aesar A15008.14

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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.
TRUSTED_SUSTAINABILITY

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

Specifications

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
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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

RUO – Research Use Only

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