252492

Benzylisothiocyanat

98%

• Synonym(e): Benzylsenföl, Isothiocyanotaomethylbenzol
• Lineare Formel: C₆H₅CH₂NCS
• CAS-Nummer: 622-78-6
• Molekulargewicht: 149.21
• Beilstein: 386135
• EG-Nummer: 210-753-9
• MDL-Nummer: MFCD00004819
• UNSPSC-Code: 12352100
• PubChem Substanz-ID: 24855213
• NACRES: NA.22

Eigenschaften

• Assay: 98%
• Form: liquid
• Brechungsindex: n20/D 1.601 (lit.)
• bp: 242-243 °C (lit.)
• Dichte: 1.125 g/mL at 25 °C (lit.)
• Funktionelle Gruppe: amine; isothiocyanate; phenyl
• Lagertemp.: 2-8°C
• SMILES String: S=C=NCc1ccccc1
• InChI: 1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
• InChIKey: MDKCFLQDBWCQCV-UHFFFAOYSA-N

Beschreibung

Allgemeine Beschreibung

Benzyl isothiocyanate is a naturally-occurring constituent of cruciferous vegetables. It has antibacterial properties and its metabolism in man has been investigated. It inhibits chemically induced cancer in animal models.

Anwendung

Benzyl isothiocyanate can be used as a reactant to synthesize:

• N

• -benzylthioureas by reacting with various amines.
• N-benzyl-O-alkyl carbamates by treating with long-chain alcohols.
• 3-mercapto-1,2,4-triazole building block by reacting with formylhydrazine via acyl thiosemicarbazide intermediate formation.
• S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine.

Benzyl isothiocyanate has been used in the preparation of S-(N-benzylthiocarbamoyl)-L-glutathione and S-(N-benzylthiocarbamoyl)-L-cysteine.

Sicherheitshinweise

• Piktogramme: GHS08,GHS07
• Signalwort: Danger
• H-Sätze: H302,H315,H317,H319,H334,H335
• P-Sätze: P261 - P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338
• Gefahreneinstufungen: Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
• Zielorgane: Respiratory system
• Lagerklassenschlüssel: 10 - Combustible liquids
• WGK: WGK 3
• Flammpunkt (°F): 222.8 °F
• Flammpunkt (°C): 106 °C
• Persönliche Schutzausrüstung: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter