Introduction：Basic information about CAS 14531-55-6|3,5-Dimethyl-4-nitro-1H-pyrazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3,5-Dimethyl-4-nitro-1H-pyrazole |
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| CAS Number | 14531-55-6 | Molecular Weight | 141.128 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 304.5±37.0 °C at 760 mmHg |
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| Molecular Formula | C5H7N3O2 | Melting Point | 123-125ºC |
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| MSDS | / | Flash Point | 138.0±26.5 °C |
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Names
| Name | 3,5-Dimethyl-4-nitropyrazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 304.5±37.0 °C at 760 mmHg |
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| Melting Point | 123-125ºC |
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| Molecular Formula | C5H7N3O2 |
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| Molecular Weight | 141.128 |
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| Flash Point | 138.0±26.5 °C |
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| Exact Mass | 141.053833 |
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| PSA | 74.50000 |
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| LogP | 1.51 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.578 |
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| InChIKey | OFQCJVVJRNPSET-UHFFFAOYSA-N |
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| SMILES | Cc1n[nH]c(C)c1[N+](=O)[O-] |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UQ6585000
- CHEMICAL NAME :
- Pyrazole, 3,5-dimethyl-4-nitro-
- CAS REGISTRY NUMBER :
- 14531-55-6
- BEILSTEIN REFERENCE NO. :
- 0125474
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H7-N3-O2
- MOLECULAR WEIGHT :
- 141.15
- WISWESSER LINE NOTATION :
- T5MNJ C1 DNW E1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 325 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 2500 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8,611,1986
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Safety Information
| Hazard Codes | Xi |
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| HS Code | 2933199090 |
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Customs
| HS Code | 2933199090 |
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| Summary | 2933199090. other compounds containing an unfused pyrazole 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
| 3,5-Dimethyl-4-nitro-1H-pyrazole |
| MFCD00052513 |
| 1H-Pyrazole, 3,5-dimethyl-4-nitro- |
