| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1016163-89-5 |
| Catalog No. | 2A-0159324 |
| Chinese Name | 5-溴-2-甲酰基苯甲酸甲酯 |
| Synonyms | methyl 2-formyl-5-bromobenzoate; Benzoic acid, 5-bromo-2-formyl-, methyl ester; Methyl 5-bromo-2-formylbenzoate |
| Molecular Formula | C9H7BrO3 |
| Molecular Weight | 243.06 |
| Purity | 96+ |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 337.2±32.0 °C at 760 mmHg |
| Storage Condition | 2-8°C, store in inert gas |
| EINECS | 0 |
| HTC | 2918300090 |
| UN(IATA) | 0 |
| PubChem ID | 144218247 |
| SMILES | COC(=O)c1cc(Br)ccc1C=O |
| InChI | InChI=1S/C9H7BrO3/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-5H,1H3 |
| InChI Key | ZYGJVCDDZZSSEE-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, refrigerated. 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:C9H7BrO3 Molecular weight:243.1 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, 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 2918300090 Synthetic Route Methyl 5-bromo-... CAS#:79670-17-0 Methyl 5-bromo-... CAS#:1016163-89-5 Literature: Lartia, Remy; Allain, Clemence; Bordeau, Guillaume; Schmidt, Falk; Fiorini-Debuisschert, Celine; Charra, Fabrice; Teulade-Fichou, Marie-Paule Journal of Organic Chemistry, 2008 , vol. 73, # 5 p. 1732 - 1744 5-bromo-2-formy... CAS#:4785-52-8 methyl iodide CAS#:74-88-4 Methyl 5-bromo-... CAS#:1016163-89-5 Literature: Mirabdolbaghi, Roya; Dudding, Travis Tetrahedron, 2013 , vol. 69, # 15 p. 3287 - 3292 Methyl 5-bromo-... CAS#:1265286-99-4 Methyl 5-bromo-... CAS#:1016163-89-5 Literature: Herzog, Beat; Neier, Reinhard Arkivoc, 2011 , vol. 2011, # 6 p. 29 - 44 Precursor & DownStream Precursor 9 CAS#:79670-17-0 Methyl 5-bromo-... CAS#:4785-52-8 5-bromo-2-formy... CAS#:74-88-4 methyl iodide CAS#:1265286-99-4 Methyl 5-bromo-... DownStream 1 CAS#:4785-52-8 5-bromo-2-formy... |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0% |
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