| Chemical & Physical Properties | |
|---|---|
| CAS Number | 107317-58-8 |
| Catalog No. | 2A-9076248 |
| Chinese Name | 甲基-4-溴-3-(三氟甲基)苯甲酸甲酯 |
| Synonyms | methyl 4-bromo-3-(trifluoromethyl)benzoate |
| Molecular Formula | C9H6BrF3O2 |
| Molecular Weight | 283.04 |
| Purity | 98% |
| Density | 1.598g/cm3 |
| Boiling Point | 274ºC at 760 mmHg |
| Storage Condition | room temperature |
| HTC | 2916399090 |
| PubChem ID | 15938593 |
| SMILES | COC(=O)c1ccc(Br)c(C(F)(F)F)c1 |
| InChI | InChI=1S/C9H6BrF3O2/c1-15-8(14)5-2-3-7(10)6(4-5)9(11,12)13/h2-4H,1H3 |
| InChI Key | DTVRLJMSCKUEEN-UHFFFAOYSA-N |
| 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:C9H6BrF3O2 Molecular weight:283.0 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen fluoride, 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 Hazard Codes Xi HS Code 2916399090 Synthetic Route Total: 1 Page CAS#:67-56-1 2'-ethyl-2-(met... CAS#:1141473-97-3 methyl 4-bromo-... CAS#:107317-58-8 CAS#:67-56-1 4-Bromo-3-(trif... CAS#:161622-14-6 methyl 4-bromo-... CAS#:107317-58-8 Literature: Huber, John D.; Bentzien, Joerg; Boyer, Stephen J.; Burke, Jennifer; De Lombaert, Stephane; Eickmeier, Christian; Guo, Xin; Haist, James V.; Hickey, Eugene R.; Kaplita, Paul; Karmazyn, Morris; Kemper, Raymond; Kennedy, Charles A.; Kirrane, Thomas; Madwed, Jeffrey B.; Mainolfi, Elizabeth; Nagaraja, Nelamangara; Soleymanzadeh, Fariba; Swinamer, Alan; Eldrup, Anne B. Journal of Medicinal Chemistry, 2012 , vol. 55, # 16 p. 7114 - 7140 Methyl 4-amino-... CAS#:167760-75-0 methyl 4-bromo-... CAS#:107317-58-8 Literature: EP2017263 A1, ; Page/Page column 248-249 ; EP 2017263 A1 Precursor & DownStream Precursor 4 CAS#:67-56-1 CAS#:1141473-97-3 2'-ethyl-2-(met... CAS#:161622-14-6 4-Bromo-3-(trif... CAS#:167760-75-0 Methyl 4-amino-... DownStream 1 CAS#:957207-09-9 4-Bromo-3-(trif... |
| 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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