Introduction：Basic information about CAS 1001-58-7|3-Sulfanylpropanenitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Sulfanylpropanenitrile |
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| CAS Number | 1001-58-7 | Molecular Weight | 87.144 |
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| Density | 1.0±0.1 g/cm3 | Boiling Point | 203.9±23.0 °C at 760 mmHg |
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| Molecular Formula | C3H5NS | Melting Point | / |
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| MSDS | / | Flash Point | 77.1±22.6 °C |
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Names
| Name | 3-sulfanylpropanenitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.0±0.1 g/cm3 |
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| Boiling Point | 203.9±23.0 °C at 760 mmHg |
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| Molecular Formula | C3H5NS |
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| Molecular Weight | 87.144 |
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| Flash Point | 77.1±22.6 °C |
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| Exact Mass | 87.014267 |
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| PSA | 62.59000 |
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| LogP | 0.25 |
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| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
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| Index of Refraction | 1.468 |
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| InChIKey | FCTXEFOUDMXDPD-UHFFFAOYSA-N |
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| SMILES | N#CCCS |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KJ0430000
- CHEMICAL NAME :
- Ethanethiol, 2-cyano-
- CAS REGISTRY NUMBER :
- 1001-58-7
- BEILSTEIN REFERENCE NO. :
- 1738135
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C3-H5-N-S
- MOLECULAR WEIGHT :
- 87.15
- WISWESSER LINE NOTATION :
- SH2CN
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2930909090 |
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Customs
| HS Code | 2930909090 |
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| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Ethane,1-cyano-2-mercapto |
| EINECS 213-682-1 |
| Propanenitrile, 3-mercapto- |
| 2-cyanoethyl mercaptan |
| 2-cyanoethanethiol |
| 3-thiopropionitrile |
| 3-mercaptopropanenitrile |
| 2-cyanoethylthiol |
| Propanenitrile,3-mercapto |
| Ethanethiol,2-cyano |
| 3-Mercaptopropiononitrile |
| 3-Mercaptopropionitrile |
| 3-Sulfanylpropanenitrile |
| 3-Mercapto propionitrile |
