3012-37-1
Benzyl thiocyanate
CAS: 3012-37-1
Molecular Formula: C8H7NS
3012-37-1 - Names and Identifiers
| Name | Benzyl thiocyanate |
| Synonyms | Troeolin Benzylrhodonid Benzyl rhodanide Beazyl thiocyanate Benzyl thiocyanate a-Thiocyanatotoluene BENZYL THIOCYANATE(SG) alpha-thiocyanatotoluene Thiocyanatomethylbenzene alpha-Thiocyanatotoluene Thiocyanic Acid Benzyl Ester Benzyl thiocyanate, (Benzyl rhodanide) |
| CAS | 3012-37-1 |
| EINECS | 221-144-2 |
| InChI | InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2 |
3012-37-1 - Physico-chemical Properties
| Molecular Formula | C8H7NS |
| Molar Mass | 149.21 |
| Density | 1.32 |
| Melting Point | 39-41 °C (lit.)39-41 °C |
| Boling Point | 230-235 °C (lit.) |
| Flash Point | >230°F |
| Water Solubility | insoluble |
| Solubility | diethyl ether: soluble0.5g/10 mL, clear to very faintly turbid, colorless to almost colorless |
| Vapor Presure | 0.0151mmHg at 25°C |
| Appearance | Solid |
| Color | Orange-red crystals or solid |
| BRN | 1859726 |
| Storage Condition | Store at |
| Sensitive | Moisture Sensitive |
| Refractive Index | 1.6000 (estimate) |
| Use | For the preparation of pesticides |
3012-37-1 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R32 - Contact with acids liberates very toxic gas |
| Safety Description | S13 - Keep away from food, drink and animal foodstuffs. S36/37 - Wear suitable protective clothing and gloves. S50A - |
| UN IDs | UN 1759 8/PG 2 |
| WGK Germany | 3 |
| RTECS | XK8155000 |
| TSCA | Yes |
| HS Code | 29309070 |
| Hazard Class | 6.1 |
| Packing Group | III |
| 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 |
3012-37-1 - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | Benzyl thiocyanate on an inert electrode during the electrochemical reduction of acetonitrile occurs locally selective bond dissociation. The addition of this substance during industrial fermentation promotes the biosynthesis of chlortetracycline. It is bioconverted to dibenzyl disulfide by Streptomyces goldis. Benzyl thiocyanate can be used to study the effects of different dietary compounds on the α-hydroxylation of n-nitrosopyrrolidine in male F344 rats. Used in the preparation of pesticides |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | abdominal cavity-rat LDL0: 40 mg/kg; Abdominal cavity-mouse LD50: 17 mg/kg |
| flammability hazard characteristics | combustible; combustion produces toxic nitrogen oxides, sulfur oxides and cyanide smoke |
| storage and transportation characteristics | low temperature ventilation and drying; separate from warehouse food raw materials |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 21:11:58
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