CAS Number89581-38-4
Synonyms2-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester; Methyl 5-bromo-2-pyrimidine carboxylate
Molecular FormulaC6H5BrN2O2
Molecular Weight217.020
Density1.7±0.1 g/cm3
Boiling Point314.4±34.0 °C at 760 mmHg
Melting Point149°C(lit.)
AppearanceSolid | White
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 89581-38-4 |
| Catalog No. | 2A-9073416 |
| Chinese Name | 5-溴-2-嘧啶甲酸甲酯 |
| Synonyms | 2-Pyrimidinecarboxylic acid, 5-bromo-, methyl ester; Methyl 5-bromo-2-pyrimidine carboxylate |
| Molecular Formula | C6H5BrN2O2 |
| Molecular Weight | 217.020 |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 314.4±34.0 °C at 760 mmHg |
| Melting Point | 149°C(lit.) |
| Appearance | Solid | White |
| Water Solubility | Soluble in: methanol |
| Storage Condition | Store under inert gas; avoid air |
| HTC | 2933599090 |
| PubChem ID | 117666028 |
| SMILES | COC(=O)c1ncc(Br)cn1 |
| InChI | InChI=1S/C6H5BrN2O2/c1-11-6(10)5-8-2-4(7)3-9-5/h2-3H,1H3 |
| InChI Key | XILAKTMDKMVJQV-UHFFFAOYSA-N |
| MSDS | msds/73416_1_89581_38_4.pdf |
| Use of | health and chemical hazard data given on this sheet. Storage: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:No data 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 Safety Information Hazard Codes Xi HS Code 2933599090 Synthetic Route Total: 1 Page CAS#:67-56-1 5-Bromo-2-pyrim... CAS#:37131-87-6 Methyl 5-Bromop... CAS#:89581-38-4 Precursor & DownStream Precursor 2 CAS#:67-56-1 CAS#:37131-87-6 5-Bromo-2-pyrim... DownStream 7 CAS#:38275-60-4 5-Bromopyrimidi... CAS#:45695-56-5 PYRIMIDINE-2-CA... CAS#:90993-49-0 2-Pyrimidinecar... CAS#:22433-12-1 (5-Bromopyrimid... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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