Benzyl thiocyanate

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
Product Categories:
Mol File:3012-37-1.mol
Benzyl thiocyanate Structure
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)
Fp >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 Reference3012-37-1(CAS DataBase Reference)
NIST Chemistry ReferenceThiocyanic acid benzyl ester(3012-37-1)
EPA Substance Registry SystemThiocyanic acid, phenylmethyl ester (3012-37-1)
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
ToxicityLDLo 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 Information
ProviderLanguage
Benzyl thiocyanate English
SigmaAldrich English
ACROS English
ALFA English
Benzyl thiocyanate Usage And Synthesis
DescriptionBenzyl 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 PropertiesALMOST WHITE TO YELLOW CRYSTALS OR CRYST. POWDER
UsesBenzyl 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.
UsesBenzyl thiocyanate was used to study the effects of various dietary compounds on the α-hydroxylation of N-nitrosopyrrolidine in male F344 rats in vitro.
DefinitionChEBI: Benzyl thiocyanate is a member of thiocyanates.
ApplicationBenzyl 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 DescriptionBenzyl 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.
HazardStrong irritant to skin, tissue. Moderate fire hazard.
Safety ProfilePoison by subcutaneous andintraperitoneal routes. Whenheated to decomposition it emits very toxic fumes ofNOx, SOx, and CN??.
Purification MethodsCrystallise the thiocyanate from EtOH or aqueous EtOH. [Beilstein 6 H 460, 6 IV 2680.]
Benzyl thiocyanate Preparation Products And Raw materials
Preparation ProductsThiophosphoric acid O,O-diethyl S-benzyl ester-->5-Benzylthio-1H-tetrazole
4-NITROBENZYL THIOCYANATE Erythromycin thiocyanate ISOTHIOCYANATE, POLYMER-BOUND, 200-400 P-(METHYLTHIO)BENZYL THIOCYANATE 4-(TRIFLUOROMETHYL)BENZYL THIOCYANATE 2-(TRIFLUOROMETHYL)BENZYL THIOCYANATE BENZYL THIOCYANATE, (BENZYL RHODANIDE) Thiocyanic acid thiocyanate 2,6-DICHLOROBENZYL THIOCYANATE 3-(TRIFLUOROMETHYL)BENZYL THIOCYANATE Benzeneacetonitrile BENZYL THIOCYANATE SOLUTION 100UG/ML IN ACETONITRILE 1ML Benzyl Allyl isothiocyanate ERYTHORMYCIN THIOCYANATE 3-METHYLBENZYL THIOCYANATE BENZYL THIOCYANATE SOLUTION 100UG/ML IN TOLUENE 1ML

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