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Benzyl thiocyanate

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Benzyl thiocyanate Basic information

Product Name:
Benzyl thiocyanate
Synonyms:
  • alpha-Thiocyanatotoluene
  • BENZYL THIOCYANATE(SG)
  • Beazyl thiocyanate
  • Benzyl thiocyanate, 98+%
  • a-Thiocyanatotoluene
  • Benzylrhodonid
  • Thiocyanatomethylbenzene
  • Troeolin
CAS:
3012-37-1
MF:
C8H7NS
MW:
149.21
EINECS:
221-144-2
Mol File:
3012-37-1.mol
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Benzyl thiocyanate Chemical Properties

Melting point:
39-41 °C (lit.) 39-41 °C
Boiling point:
230-235 °C (lit.)
Density 
1.32
refractive index 
1.6000 (estimate)
Flash point:
>230 °F
storage temp. 
Store at <= 20°C.
solubility 
diethyl ether: soluble0.5g/10 mL, clear to very faintly turbid, colorless to almost colorless
form 
Solid
color 
Orange-red crystals or solid
Water Solubility 
insoluble
Sensitive 
Moisture Sensitive
BRN 
1859726
CAS DataBase Reference
3012-37-1(CAS DataBase Reference)
NIST Chemistry Reference
Thiocyanic acid benzyl ester(3012-37-1)
EPA Substance Registry System
Thiocyanic acid, phenylmethyl ester (3012-37-1)
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Safety Information

Hazard Codes 
Xn
Risk Statements 
20/21/22-32
Safety Statements 
13-36/37-50A
RIDADR 
UN 1759 8/PG 2
WGK Germany 
3
RTECS 
XK8155000
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
III
HS Code 
29309070
Toxicity
LDLo ipr-rat: 40 mg/kg ARZNAD 16,870,66ipr-mus LD50:17 mg/kg PCBPBS 2,95,72scu-mus LD50:100 mg/kg JJPAAZ 3,99,54

MSDS

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Benzyl thiocyanate Usage And Synthesis

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.

Chemical Properties

ALMOST WHITE TO YELLOW CRYSTALS OR CRYST. POWDER

Uses

Benzyl Thiocyanate is found to increase the protein production of Streptomyces aureofaciens. Inhibits methylazoxymethanol acetate-induced intestinal carcinogenesis and reduces unscheduled DNA synthesi s for some genotoxic carcinogens in rats.

Uses

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.

Definition

ChEBI: Benzyl thiocyanate is a member of thiocyanates.

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.

Synthesis Reference(s)

Synthesis, p. 184, 1977
Tetrahedron Letters, 18, p. 4417, 1977 DOI: 10.1016/S0040-4039(01)83524-3

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.

Hazard

Strong irritant to skin, tissue. Moderate fire hazard.

Safety Profile

Poison by subcutaneous andintraperitoneal routes. Whenheated to decomposition it emits very toxic fumes ofNOx, SOx, and CN??.

Purification Methods

Crystallise the thiocyanate from EtOH or aqueous EtOH. [Beilstein 6 H 460, 6 IV 2680.]

Benzyl thiocyanateSupplier

Alfa Aesar
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400-6106006
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saleschina@alfa-asia.com
TCI (Shanghai) Development Co., Ltd.
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021-67121386
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Sales-CN@TCIchemicals.com
Energy Chemical
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021-021-58432009 400-005-6266
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sales8178@energy-chemical.com
JinYan Chemicals(ShangHai) Co.,Ltd.
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13817811078
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sales@jingyan-chemical.com
Shanghai Hanhong Scientific Co.,Ltd.
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021-54306202 13764082696;
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info@hanhongsci.com