CAS Number10597-52-1
SynonymsBenzimidazole,4-nitro; 1,3-dideaza-6-nitropurine; 6-nitro-1,3-dideazapurine; 4-Nitrobenzimidazole; 4-Nitro-1H-benzimidazole; 6-nitro-1,3-dideazaadenine; 1H-Benzimidazole,4-nitro
Molecular FormulaC13H8BrN3O2
Molecular Weight318.132
Density1.5±0.1 g/cm3
Boiling Point475.7±18.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 10597-52-1 |
| Catalog No. | 2A-9073585 |
| Chinese Name | 4-硝基苯咪唑 |
| Synonyms | Benzimidazole,4-nitro; 1,3-dideaza-6-nitropurine; 6-nitro-1,3-dideazapurine; 4-Nitrobenzimidazole; 4-Nitro-1H-benzimidazole; 6-nitro-1,3-dideazaadenine; 1H-Benzimidazole,4-nitro |
| Molecular Formula | C13H8BrN3O2 |
| Molecular Weight | 318.132 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 475.7±18.0 °C at 760 mmHg |
| Storage Condition | room temperature |
| HTC | 2933990090 |
| PubChem ID | 3146236 |
| MDL Number | MFCD07799870 |
| SMILES | O=[N+]([O-])c1cccc2[nH]cnc12 |
| InChI | InChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-7(6)9-4-8-5/h1-4H,(H,8,9) |
| InChI Key | NEJMFSBXFBFELK-UHFFFAOYSA-N |
| MSDS | msds/73585_1_10597_52_1.pdf |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point: Flash point:No data Molecular formula:C7H5N3O2 Molecular weight:163.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information Section12. Ecological information Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Benzimidazole, 4-nitro- CAS REGISTRY NUMBER : 10597-52-1 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C7-H5-N3-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T56 BM DNJ FNW HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 100 ug/plate REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 28,273,1975 Safety Information HS Code 2933990090 Synthetic Route Formic Acid CAS#:64-18-6 3-Nitro-1,2-ben... CAS#:3694-52-8 4-Nitro-1H-benz... CAS#:10597-52-1 Literature: Robl; Sulsky; Sun; Simpkins; Wang; Dickson Jr.; Chen; Magnin; Taunk; Slusarchyk; Biller; Lan; Connolly; Kunselman; Sabrah; Jamil; Gordon; Harrity; Wetterau Journal of Medicinal Chemistry, 2001 , vol. 44, # 6 p. 851 - 856 3-Nitro-1,2-ben... CAS#:3694-52-8 4-Nitro-1H-benz... CAS#:10597-52-1 Literature: BRISTOL-MYERS SQUIBB COMPANY Patent: EP904262 B1, 2004 ; Location in patent: Page 210 ; Triethyl orthof... CAS#:122-51-0 3-Nitro-1,2-ben... CAS#:3694-52-8 4-Nitro-1H-benz... CAS#:10597-52-1 Literature: Tanakit, Alisa; Rouffet, Matthieu; Martin, David P.; Cohen, Seth M. Dalton Transactions, 2012 , vol. 41, # 21 p. 6507 - 6515 Precursor & DownStream Precursor 4 CAS#:64-18-6 Formic Acid CAS#:3694-52-8 3-Nitro-1,2-ben... CAS#:122-51-0 Triethyl orthof... CAS#:606-22-4 2,6-Dinitroaniline DownStream 4 CAS#:31493-66-0 1-Methyl-4-nitr... CAS#:57155-23-4 1H-Benzimidazol... CAS#:4331-29-7 1H-benzimidazol... CAS#:31419-69-9 1H-Benzimidazol... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: 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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