Introduction：Basic information about CAS 705-60-2|1-Phenyl-2-nitropropene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-Phenyl-2-nitropropene |
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| CAS Number | 705-60-2 | Molecular Weight | 163.173 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 263.0±9.0 °C at 760 mmHg |
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| Molecular Formula | C9H9NO2 | Melting Point | 63-65ºC |
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| MSDS | / | Flash Point | 115.7±11.5 °C |
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Names
| Name | 1-Phenyl-2-nitropropene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 263.0±9.0 °C at 760 mmHg |
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| Melting Point | 63-65ºC |
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| Molecular Formula | C9H9NO2 |
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| Molecular Weight | 163.173 |
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| Flash Point | 115.7±11.5 °C |
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| Exact Mass | 163.063324 |
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| PSA | 45.82000 |
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| LogP | 2.70 |
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| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
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| Index of Refraction | 1.586 |
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| InChIKey | WGSVFWFSJDAYBM-BQYQJAHWSA-N |
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| SMILES | CC(=Cc1ccccc1)[N+](=O)[O-] |
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| Storage condition | 2-8°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DA6495000
- CHEMICAL NAME :
- Benzene, 1-(2-nitropropenyl)-
- CAS REGISTRY NUMBER :
- 705-60-2
- BEILSTEIN REFERENCE NO. :
- 1863853
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C9-H9-N-O2
- MOLECULAR WEIGHT :
- 163.19
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,32,1953
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 13,285,1964
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1176 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 11,321,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 154 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NKRZAZ Chemotherapy (Tokyo). (Nippon Kagaku Ryoho Gakkai, 2-20-8 Kamiosaki, Shinagawa-Ku, Tokyo 141, Japan) V.1- 1953- Volume(issue)/page/year: 11,321,1963
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Safety Information
| Hazard Codes | Xi: Irritant; |
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| Risk Phrases | R36/37/38 |
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| Safety Phrases | 26-36-37/39 |
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| WGK Germany | 3 |
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| RTECS | DA6495000 |
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| HS Code | 2904209090 |
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Customs
| HS Code | 2904209090 |
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| Summary | 2904209090 derivatives containing only nitro or only nitroso groups。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0% |
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Synonyms
| (2-Nitroprop-1-en-1-yl)benzene |
| Benzene, [(1E)-2-nitro-1-propen-1-yl]- |
| 2-NITROPROP-1-ENYLBENZENE |
| Benzene, [(1Z)-2-nitro-1-propen-1-yl]- |
| [(1E)-2-Nitro-1-propen-1-yl]benzene |
| 1-Phenyl-2-nitro-1-propene |
| 2-NITRO-1-PHENYLPROPENE |
| [(1Z)-2-Nitro-1-propen-1-yl]benzene |
| MFCD00014720 |
| β-Methyl-β-nitrostyrene |
| NITROPROPENYLBENZENE |
| 2-Nitro-1-phenyl-1-propene |
