CAS Number82702-31-6
SynonymsBenzoic acid, 3-bromo-4-fluoro-, methyl ester; 3-Bromo-4-fluorobenzoic acid methyl ester; Methyl 3-bromo-4-fluorobenzoate; FR BE DVO1
Molecular FormulaC8H6BrFO2
Molecular Weight233.04
Density1.6±0.1 g/cm3
Boiling Point245.3±20.0 °C at 760 mmHg
Melting Point26-28ºC
AppearanceSolid; White to Orange to Green powder to lump
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 82702-31-6 |
| Catalog No. | 2A-9079102 |
| Chinese Name | 3-溴-4-氟苯甲酸甲酯 |
| Synonyms | Benzoic acid, 3-bromo-4-fluoro-, methyl ester; 3-Bromo-4-fluorobenzoic acid methyl ester; Methyl 3-bromo-4-fluorobenzoate; FR BE DVO1 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.04 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 245.3±20.0 °C at 760 mmHg |
| Melting Point | 26-28ºC |
| Appearance | Solid; White to Orange to Green powder to lump |
| Storage Condition | Keep Cold |
| HTC | 2916399090 |
| PubChem ID | 17198849 |
| SMILES | COC(=O)c1ccc(F)c(Br)c1 |
| InChI | InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3 |
| InChI Key | JVORYGNKYAXATM-UHFFFAOYSA-N |
| Use of | health and chemical hazard data given on this sheet. Storage: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 Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Molecular formula:C8H6BrFO2 Molecular weight:233.0 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 Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (Methyl 3-bromo-4-fluorobenzoate) 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: Irritant; Risk Phrases 22 HS Code 2916399090 Synthetic Route CAS#:67-56-1 3-Bromo-4-fluor... CAS#:1007-16-5 Methyl 3-bromo-... CAS#:82702-31-6 Literature: Scribner, Andrew; Dennis, Richard; Hong, Jean; Lee, Shuliang; McIntyre, Donald; Perrey, David; Feng, Dennis; Fisher, Michael; Wyvratt, Matthew; Leavitt, Penny; Liberator, Paul; Gurnett, Anne; Brown, Chris; Mathew, John; Thompson, Donald; Schmatz, Dennis; Biftu, Tesfaye European Journal of Medicinal Chemistry, 2007 , vol. 42, # 11-12 p. 1334 - 1357 Methyl 4-fluoro... CAS#:403-33-8 Methyl 3-bromo-... CAS#:82702-31-6 3-Bromo-4-fluor... CAS#:1007-16-5 (Trimethylsilyl... CAS#:18107-18-1 Methyl 3-bromo-... CAS#:82702-31-6 |
| 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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