Introduction:Basic information about CAS 5401-94-5|5-Nitro-1H-indazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Nitro-1H-indazole |
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| CAS Number | 5401-94-5 | Molecular Weight | 163.133 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 383.3±15.0 °C at 760 mmHg |
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| Molecular Formula | C7H5N3O2 | Melting Point | 207 °C |
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| MSDS | / | Flash Point | 185.6±20.4 °C |
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Names
| Name | 5-Nitroindazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
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| Boiling Point | 383.3±15.0 °C at 760 mmHg |
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| Melting Point | 207 °C |
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| Molecular Formula | C7H5N3O2 |
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| Molecular Weight | 163.133 |
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| Flash Point | 185.6±20.4 °C |
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| Exact Mass | 163.038177 |
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| PSA | 74.50000 |
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| LogP | 2.03 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.741 |
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| InChIKey | WSGURAYTCUVDQL-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1ccc2[nH]ncc2c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NK7962000
- CHEMICAL NAME :
- 1H-Indazole, 5-nitro-
- CAS REGISTRY NUMBER :
- 5401-94-5
- BEILSTEIN REFERENCE NO. :
- 0007936
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C7-H5-N3-O2
- MOLECULAR WEIGHT :
- 163.15
- WISWESSER LINE NOTATION :
- T56 BMNJ GNW
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 100 nmol/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 58,11,1978 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X2519 No. of Facilities: 281 (estimated) No. of Industries: 3 No. of Occupations: 7 No. of Employees: 6639 (estimated) No. of Female Employees: 3663 (estimated)
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R20/21/22;R36;R68 |
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| Safety Phrases | S26-S36/37/39 |
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| WGK Germany | 2 |
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| RTECS | NK7962000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1H-Indazole, 5-nitro- |
| 5-Nitro-1H-indazole |
| EINECS 226-451-5 |
| MFCD00674078 |