| Chemical & Physical Properties | |
|---|---|
| CAS Number | 116529-61-4 |
| Catalog No. | 2A-1174194 |
| Chinese Name | 3-溴-2-硝基苯甲酸 |
| Synonyms | 3-Brom-2-nitro-benzoesaeure; 3-bromo-2-nitro-benzoic acid |
| Molecular Formula | C7H4BrNO4 |
| Molecular Weight | 300.31 |
| Purity | ≥98 (HPLC) |
| Density | 1.892g/cm3 |
| Boiling Point | 348.6ºC at 760 mmHg |
| Appearance | solid |
| Storage Condition | Room temperature, dry and sealed |
| HTC | 2916399090 |
| PubChem ID | 407997 |
| MDL Number | MFCD00153851 |
| SMILES | [N+](=O)([O-])c1cc(c(cc1)NCCCc2ccccc2)C(=O)O |
| InChI | 1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20) |
| InChI Key | WBSMIPAMAXNXFS-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 51111800 |
| MSDS | msds/174534_1_116529_61_4.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:C7H4BrNO4 Molecular weight:246.0 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 Safety Information HS Code 2916399090 Synthetic Route 3-Bromo-2-nitro... CAS#:52414-97-8 3-BROMO-2-NITRO... CAS#:116529-61-4 Literature: Elson; Gibson; Johnson Journal of the Chemical Society, 1929 , p. 2742 CAS#:585-76-2 5-Bromo-2-nitro... CAS#:6950-43-2 3-BROMO-2-NITRO... CAS#:116529-61-4 Literature: Friedlaender; Bruckner; Deutsch Justus Liebigs Annalen der Chemie, 1912 , vol. 388, p. 34 2-Nitrotoluene CAS#:88-72-2 3-BROMO-2-NITRO... CAS#:116529-61-4 Literature: Burton; Hammond; Kenner Journal of the Chemical Society, 1926 , p. 1803 Precursor & DownStream Precursor 6 CAS#:52414-97-8 3-Bromo-2-nitro... CAS#:585-76-2 CAS#:88-72-2 2-Nitrotoluene CAS#:70343-09-8 2,3-dinitro-4-m... DownStream 3 CAS#:118-92-3 Anthranilic acid CAS#:20776-51-6 2-Amino-3-bromo... CAS#:872279-35-1 3-bromo-2-nitro... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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