Introduction：Basic information about CAS 17402-80-1|3-nitrobenzothiophene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-nitrobenzothiophene |
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| CAS Number | 17402-80-1 | Molecular Weight | 179.19600 |
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| Density | 1.435g/cm3 | Boiling Point | 324.6ºC at 760mmHg |
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| Molecular Formula | C8H5NO2S | Melting Point | / |
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| MSDS | / | Flash Point | 150.1ºC |
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Names
| Name | 3-nitro-1-benzothiophene |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.435g/cm3 |
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| Boiling Point | 324.6ºC at 760mmHg |
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| Molecular Formula | C8H5NO2S |
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| Molecular Weight | 179.19600 |
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| Flash Point | 150.1ºC |
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| Exact Mass | 179.00400 |
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| PSA | 74.06000 |
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| LogP | 3.33270 |
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| Vapour Pressure | 0.000461mmHg at 25°C |
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| Index of Refraction | 1.714 |
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| InChIKey | PIZRWAZBFNMVMW-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1csc2ccccc12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DL9700000
- CHEMICAL NAME :
- Benzothiophene, 3-nitro-
- CAS REGISTRY NUMBER :
- 17402-80-1
- BEILSTEIN REFERENCE NO. :
- 0135966
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C8-H5-N-O2-S
- MOLECULAR WEIGHT :
- 179.20
- WISWESSER LINE NOTATION :
- T56 BSJ DNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 6,63,1954
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Parenteral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 600 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CBCCT* "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. (National Academy of Science Library, 2101 Constitution Ave., NW, Washington, DC 20418) Volume(issue)/page/year: 7,695,1955
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Safety Information
Customs
| HS Code | 2934999090 |
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| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 3-Nitrobenzothiophene |
| Thianaphthene,3-nitro |
| 3-Nitrothianaphthene |
| 3-Nitro-benzo[b]thiophen |
| 3-nitro-benzo[b]thiophene |
| BENZOTHIOPHENE,3-NITRO |
