13929
Benzyl thiocyanate
≥95.0% (GC)
Synonym(s):
Benzyl rhodanide
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About This Item
Linear Formula:
C6H5CH2SCN
CAS Number:
Molecular Weight:
149.21
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
221-144-2
Beilstein/REAXYS Number:
1859726
MDL number:
Assay:
≥95.0% (GC)
Form:
solid
Quality Level
assay
≥95.0% (GC)
form
solid
bp
230-235 °C (lit.)
mp
39-41 °C
solubility
diethyl ether: soluble 0.5 g/10 mL, clear to very faintly turbid, colorless to almost colorless
functional group
phenyl, thiocyanate, thioether
storage temp.
2-8°C
SMILES string
N#CSCc1ccccc1
InChI
1S/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
InChI key
ABNDFSOIUFLJAH-UHFFFAOYSA-N
General description
Benzyl thiocyanate undergoes regioselective bond dissociation during its electrochemical reduction in acetonitrile at an inert electrode. It is added to stimulate the chlortetracycline biosynthesis during industrial fermentations. It undergoes biotransformation into dibenzyl disulphide by Streptomyces aureofaciens.
Application
Benzyl thiocyanate was used to study the effects of various dietary compounds on the α-hydroxylation of N-nitrosopyrrolidine in male F344 rats in vitro.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3
supp_hazards
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
230.0 °F
flash_point_c
110 °C
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
危险化学品
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[Obstructive cholangiopathy and isothiocyanate].
D W Bleyl et al.
Die Nahrung, 35(7), 783-785 (1991-01-01)
S Sugie et al.
Japanese journal of cancer research : Gann, 84(8), 865-870 (1993-08-01)
The effects of two aromatic thiocyanates, benzyl isothiocyanate (BITC) and benzyl thiocyanate (BTC), on diethylnitrosamine (DEN)-induced hepatocarcinogenesis were examined in rats. A total of 108 male ACI/N rats, 5 weeks old, were divided into 6 groups (18 rats in each).
J Novotná et al.
Current microbiology, 31(2), 84-91 (1995-08-01)
Cell protein profiles of submerged cultures of Streptomyces aureofaciens cultivated in the absence or presence of 12 microM benzyl thiocyanate (BT) were analyzed by one-dimensional SDS polyacrylamide gel electrophoresis. Substantial increase in the intensity of the 13, 35, 37, 60
Global Trade Item Number
| SKU | GTIN |
|---|---|
| CDS025240-100MG | 04065269020899 |
| 13929-100G | 04061832418643 |