Introduction：Basic information about CAS 5219-61-4|phenylthioacetonitrile, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | phenylthioacetonitrile |
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| CAS Number | 5219-61-4 | Molecular Weight | 149.21300 |
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| Density | 1.142 g/mL at 25 °C(lit.) | Boiling Point | 146-147 °C14 mm Hg(lit.) |
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| Molecular Formula | C8H7NS | Melting Point | / |
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| MSDS | / | Flash Point | 146-147°C/14mm |
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Names
| Name | (Phenylthio)acetonitrile |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.142 g/mL at 25 °C(lit.) |
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| Boiling Point | 146-147 °C14 mm Hg(lit.) |
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| Molecular Formula | C8H7NS |
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| Molecular Weight | 149.21300 |
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| Flash Point | 146-147°C/14mm |
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| Exact Mass | 149.03000 |
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| PSA | 49.09000 |
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| LogP | 2.30228 |
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| Index of Refraction | n20/D 1.583(lit.) |
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| InChIKey | QMJWPWCKRKHUNY-UHFFFAOYSA-N |
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| SMILES | N#CCSc1ccccc1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- AM1900000
- CHEMICAL NAME :
- Acetonitrile, (phenylthio)-
- CAS REGISTRY NUMBER :
- 5219-61-4
- BEILSTEIN REFERENCE NO. :
- 2042078
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H7-N-S
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 470 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985
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Safety Information
| Hazard Codes | Xn,T |
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| Risk Phrases | 22 |
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| Safety Phrases | S23-S24/25 |
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| RIDADR | 3276 |
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| WGK Germany | 3 |
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| RTECS | AM1900000 |
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| Packaging Group | III |
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| Hazard Class | 6.1 |
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Synonyms
| 2-phenylsulfanylacetonitrile |
| Phenylthioacetonitrile |
| (Phenylthio)Acetonitrile |
| EINECS 226-013-3 |
| MFCD00019831 |
