Introduction：Basic information about CAS 54585-47-6|4,6-dimethyl-2-sulfanylnicotinonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4,6-dimethyl-2-sulfanylnicotinonitrile |
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| CAS Number | 54585-47-6 | Molecular Weight | 164.227 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 249.8±43.0 °C at 760 mmHg |
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| Molecular Formula | C8H8N2S | Melting Point | 274ºC (dec.) |
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| MSDS | / | Flash Point | 104.9±28.2 °C |
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Names
| Name | 3-Cyano-4,6-Dimethyl-2-Mercaptopyridine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 249.8±43.0 °C at 760 mmHg |
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| Melting Point | 274ºC (dec.) |
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| Molecular Formula | C8H8N2S |
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| Molecular Weight | 164.227 |
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| Flash Point | 104.9±28.2 °C |
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| Exact Mass | 164.040817 |
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| PSA | 75.48000 |
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| LogP | 1.18 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.609 |
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| InChIKey | CZRHEROEPICLRO-UHFFFAOYSA-N |
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| SMILES | Cc1cc(C)c(C#N)c(=S)[nH]1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- US4201380
- CHEMICAL NAME :
- 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo-
- CAS REGISTRY NUMBER :
- 54585-47-6
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H8-N2-S
- MOLECULAR WEIGHT :
- 164.24
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- >2500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 19,313,1985
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Safety Information
| Risk Phrases | 36/37/38 |
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| Safety Phrases | S22-S24/25 |
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| RIDADR | UN 3276 |
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| RTECS | US4201380 |
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| Packaging Group | III |
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| HS Code | 2933399090 |
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Customs
| HS Code | 2933399090 |
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| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 4,6-dimethyl-2-sulfanylnicotinonitrile |
| 4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile |
| 4,6-Dimethyl-2-thioxo-1,2-dihydro-3-pyridinecarbonitrile |
| 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-thioxo- |
| MFCD00051684 |
| 3-pyridinecarbonitrile, 2-mercapto-4,6-dimethyl- |
| 4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile |
