252492
Benzyl isothiocyanate
98%
Sinónimos:
Benzyl mustard oil, Isothiocyanotaomethylbenzene
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Fórmula lineal:
C6H5CH2NCS
Número CAS:
Peso molecular:
149.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-753-9
Beilstein/REAXYS Number:
386135
MDL number:
Assay:
98%
Form:
liquid
Servicio técnico
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assay
98%
form
liquid
refractive index
n20/D 1.601 (lit.)
bp
242-243 °C (lit.)
density
1.125 g/mL at 25 °C (lit.)
functional group
amine, isothiocyanate, phenyl
storage temp.
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
InChI key
MDKCFLQDBWCQCV-UHFFFAOYSA-N
General description
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.
Application
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.
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Danger
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3
target_organs
Respiratory system
Clase de almacenamiento
10 - Combustible liquids
wgk
WGK 3
flash_point_f
222.8 °F
flash_point_c
106 °C
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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