252492
Benzyl isothiocyanate
98%
동의어(들):
Benzyl mustard oil, Isothiocyanotaomethylbenzene
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제품정보 (DICE 배송 시 비용 별도)
Linear Formula:
C6H5CH2NCS
CAS 번호:
Molecular Weight:
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
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.
signalword
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
저장 등급
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
Synthesis of 5-substituted 3-mercapto-1, 2, 4-triazoles via Suzuki-Miyaura reaction
Katkevica S, et al.
Tetrahedron Letters, 54(34), 4524-4525 (2013)
G Brüsewitz et al.
The Biochemical journal, 162(1), 99-107 (1977-01-15)
1. The corresponding cysteine conjugate was formed when the GSH (reduced glutathione) or cysteinylglycine conjugates of benzyl isothiocyanate were incubated with rat liver or kidney homogenates. When the cysteine conjugate of benzyl isothiocyanate was similarly incubated in the presence of
A Simple and Green Procedure for the Synthesis of N-Benzylthioureas
C de Sequeira Aguiar L, et al.
Letters in Organic Chemistry, 8(8), 540-544 (2011)