Introduction:Basic information about CAS 94-52-0|5-Nitrobenzimidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 5-Nitrobenzimidazole |
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| CAS Number | 94-52-0 | Molecular Weight | 163.133 |
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| Density | 1.5±0.1 g/cm3 | Boiling Point | 475.7±18.0 °C at 760 mmHg |
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| Molecular Formula | C7H5N3O2 | Melting Point | 207-210 °C |
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| MSDS | / | Flash Point | 241.5±21.2 °C |
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Names
| Name | 5-Nitrobenzimidazole |
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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 | 475.7±18.0 °C at 760 mmHg |
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| Melting Point | 207-210 °C |
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| Molecular Formula | C7H5N3O2 |
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| Molecular Weight | 163.133 |
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| Flash Point | 241.5±21.2 °C |
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| Exact Mass | 163.038177 |
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| PSA | 74.50000 |
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| LogP | 1.64 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.741 |
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| InChIKey | XPAZGLFMMUODDK-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1ccc2nc[nH]c2c1 |
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| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
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| Water Solubility | <0.01 g/100 mL at 16.5 ºC |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DD9800000
- CHEMICAL NAME :
- Benzimidazole, 6-nitro-
- CAS REGISTRY NUMBER :
- 94-52-0
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C7-H5-N3-O2
- MOLECULAR WEIGHT :
- 163.15
- WISWESSER LINE NOTATION :
- T56 BM DNJ HNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published 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
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 160 gm/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
- TYPE OF TEST :
- TD - Toxic dose (other than lowest)
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 79 gm/kg/78W-C
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - tumors
MUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 33 ug/plate
- REFERENCE :
- ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8(Suppl 7),1,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1627 No. of Facilities: 302 (estimated) No. of Industries: 8 No. of Occupations: 13 No. of Employees: 4272 (estimated) No. of Female Employees: 1988 (estimated)
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Safety Information
| Hazard Codes | Xn:Harmful; |
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| Risk Phrases | R22;R40 |
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| Safety Phrases | S26-S45-S36/37 |
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| RIDADR | 2811 |
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| WGK Germany | 3 |
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| RTECS | DD9800000 |
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| HS Code | 29339990 |
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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
| 5-Nitrobenzimidazole |
| EINECS 202-341-2 |
| 6-nitro-benzimidazol |
| 5-nitro-benzimidazol |
| 5-Nrtiobenzimidazole |
| 1H-Benzimidazole, 6-nitro- |
| 5-Nitro-1H-benzimidazole |
| 6-Nitrobenzimidazole |
| 6-nitrobenzimdazole |
| MFCD00005604 |
| Benzimidazole,5-nitro |
| 5-nitrobenzoimidazole |