Benzyl thiocyanate Property

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)

Safety

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

Benzyl thiocyanate Chemical Properties,Usage,Production

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.]