CAS 592-82-5|1-Isothiocyanatobutane
Introduction：Basic information about CAS 592-82-5|1-Isothiocyanatobutane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Isothiocyanatobutane | ||
|---|---|---|---|
| CAS Number | 592-82-5 | Molecular Weight | 115.197 |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 168.0±0.0 °C at 760 mmHg |
| Molecular Formula | C5H9NS | Melting Point | / |
| MSDS | ChineseUSA | Flash Point | 66.1±0.0 °C |
| Symbol | GHS05, GHS07, GHS08 | Signal Word | Danger |
Names
| Name | butyl isothiocyanate |
|---|---|
| Synonym | More Synonyms |
Chemical & Physical Properties
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 168.0±0.0 °C at 760 mmHg |
| Molecular Formula | C5H9NS |
| Molecular Weight | 115.197 |
| Flash Point | 66.1±0.0 °C |
| Exact Mass | 115.045570 |
| PSA | 44.45000 |
| LogP | 2.53 |
| Vapour Pressure | 2.2±0.3 mmHg at 25°C |
| Index of Refraction | 1.484 |
| InChIKey | LIMQQADUEULBSO-UHFFFAOYSA-N |
| SMILES | CCCCN=C=S |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 100 ug/plate
- REFERENCE :
- ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980
- TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 100 ug/plate
- REFERENCE :
- ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980
Safety Information
| Symbol | GHS05, GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302 + H312 + H332-H314-H317-H334 |
| Precautionary Statements | P261-P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C |
| Risk Phrases | 20/21/22-34-42 |
| Safety Phrases | S23-S26-S36/37-S39-S45 |
| RIDADR | UN 1693 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | NX8420500 |
| Packaging Group | III |
| Hazard Class | 8 |
Articles10
More Articles| In vitro metabolic conversion of the organic breakdown products of glucosinolate to goitrogenic thiocyanate anion. J. Sci. Food Agric. 95 , 2244-51, (2015) Glucosinolates are abundant in Brassicaceae vegetables, and they are degraded into various organic breakdown products (BPs) (R-CN, -NCS and -SCN) by myrosinase when plant tissues are damaged. This stu... | |
| Nematicidal Activity of the Volatilome of Eruca sativa on Meloidogyne incognita. J. Agric. Food Chem. 63 , 6120-5, (2015) Research on new pesticides based on plant extracts, aimed at the development of nontoxic formulates, has recently gained increased interest. This study investigated the use of the volatilome of rucola... | |
| Enhanced in vitro biological activity of synthetic 2-(2-pyridyl) ethyl isothiocyanate compared to natural 4-(methylsulfinyl) butyl isothiocyanate. J. Med. Chem. 55(22) , 9682-92, (2012) Dietary isothiocyanates (ITC) derived from cruciferous vegetables have been shown to have numerous biological effects consistent with chemoprotective activity. In this study we synthesized a novel ITC... |
Synonyms
| Butane, 1-isothiocyanato- |
| MFCD00004824 |
| BUTYL ISOTHIOCYANATE |
| 1-Isothiocyanatobutane |
| EINECS 209-770-4 |
