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Benzyl isothiocyanate, 98%
CAS: 622-78-6 | C8H7NS | 149.211 g/mol
$59.96 - $610.27
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 |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
|---|---|---|---|---|---|---|---|---|---|
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAA1500806
|
Thermo Scientific Chemicals
A1500806 |
5 g |
Each for $59.96
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AAA1500814
|
Thermo Scientific Chemicals
A1500814 |
25 g |
Each for $198.66
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AAA1500822
|
Thermo Scientific Chemicals
A1500822 |
100 g |
Each for $610.27
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Description
Benzyl isothiocyanate is used in a synthesis of 2-phenylpyrimidine-4-thiones from BenzoylÂacetonitrile. 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.
ApplicationsBenzyl isothiocyanate is used in a synthesis of 2-phenylpyrimidine-4-thiones from BenzoylÂacetonitrile. 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.
Chemical Identifiers
| 622-78-6 | |
| 149.211 | |
| MDKCFLQDBWCQCV-UHFFFAOYSA-N | |
| 2346 | |
| isothiocyanatomethylbenzene |
| C8H7NS | |
| MFCD00004819 | |
| benzyl isothiocyanate, isothiocyanatomethyl benzene, benzyl mustard oil, benzylisothiocyanate, benzylsenfoel, tromacaps, tromalyt, urogran, isothiocyanic acid, benzyl ester, benzyl-isothiocyanate | |
| CHEBI:17484 | |
| C1=CC=C(C=C1)CN=C=S |
Specifications
| 622-78-6 | |
| 242°C to 243°C | |
| Pungent | |
| 1.603 | |
| 5 g | |
| 386135 | |
| benzyl isothiocyanate, isothiocyanatomethyl benzene, benzyl mustard oil, benzylisothiocyanate, benzylsenfoel, tromacaps, tromalyt, urogran, isothiocyanic acid, benzyl ester, benzyl-isothiocyanate | |
| MDKCFLQDBWCQCV-UHFFFAOYSA-N | |
| isothiocyanatomethylbenzene | |
| 2346 | |
| 149.22 | |
| Benzyl isothiocyanate |
| 1.125 | |
| >110°C (230°F) | |
| C8H7NS | |
| MFCD00004819 | |
| UN2922 | |
| Moisture sensitive | |
| Hydrolyzes in water. | |
| C1=CC=C(C=C1)CN=C=S | |
| 149.211 | |
| CHEBI:17484 | |
| 98% |
Safety and Handling
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.
P261-P264b-P270-P271-P280-P285-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P342+P311-P362-P501c
H302+H312+H332-H315-H319-H334-H335
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
RUO – Research Use Only