| Chemical & Physical Properties | |
|---|---|
| CAS Number | 13296-94-1 |
| Catalog No. | 2A-9035487 |
| Chinese Name | 2-溴-4-硝基苯胺 |
| Synonyms | EINECS 236-318-3; MFCD00025152; 2-Bromo-4-nitroaniline |
| Molecular Formula | C6H5BrN2O2 |
| Molecular Weight | 217.02 |
| Purity | 97 |
| Density | 1.8±0.1 g/cm3 |
| Boiling Point | 351.8±22.0 °C at 760 mmHg |
| Melting Point | 110-113 °C (lit.) |
| Appearance | solid |
| Storage Condition | Warehouse ventilation and low temperature drying |
| HTC | 2921420090 |
| PubChem ID | 24883888 |
| MDL Number | MFCD00041312 |
| SMILES | Nc1ccc(Br)cc1[N+]([O-])=O |
| InChI | 1S/C6H5BrN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2 |
| InChI Key | ZCWBZRBJSPWUPG-UHFFFAOYSA-N |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/35487_1_13296_94_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:C6H5BrN2O2 Molecular weight:217.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen bromide. 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 : Aniline, 2-bromo-4-nitro- CAS REGISTRY NUMBER : 13296-94-1 BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C6-H5-Br-N2-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD - Lethal dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,12,1953 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03288 Safety Information Hazard Codes Xi: Irritant;T: Toxic; Safety Phrases 28-37-45 HS Code 2921420090 Synthetic Route 4-Nitroaniline 2-Bromo-4-nitro... 13296-94-1 Literature: Le, Zhang-Gao; Chen, Zhen-Chu; Hu, Yi; Zheng, Qin-Guo Synthesis, 2004 , # 17 p. 2809 - 2812 2-Bromoaniline 2-Bromo-6-nitro... 59255-95-7 2-Bromo-4-nitro... 13296-94-1 Literature: Synthesis, , # 10 p. 761 - 763 8-BroMo-6-nitro... 120287-30-1 2-Bromo-4-nitro... 13296-94-1 Literature: Lan, Tian; Yuan, Xian Xia; Yu, Jiang Hong; Jia, Chao; Wang, Yu Shi; Zhang, Hui Juan; Ma, Zi Feng; Ye, Wei Dong Chinese Chemical Letters, 2011 , vol. 22, # 3 p. 253 - 255 Precursor & DownStream Precursor 10 CAS#:100-01-6 4-Nitroaniline CAS#:585-79-5 3-Bromonitrobenzene CAS#:615-36-1 2-Bromoaniline CAS#:120287-30-1 8-BroMo-6-nitro... DownStream 10 CAS#:57045-86-0 N-(2-Bromo-4-ni... CAS#:188672-83-5 6-NITROBENZO[D]... CAS#:827-94-1 2,6-Dibromo-4-n... CAS#:861601-15-2 1-Bromo-3-iodo-... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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