CAS Number143805-78-1
Synonyms2-(4-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane; (3-BROMOMETHYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER; 2-[3-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane
Molecular FormulaC12H16O2Br1B1
Molecular Weight282.97
Density1.3±0.1 g/cm3
Boiling Point369.0±25.0 °C at 760 mmHg
Melting Point86-90ºC
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 143805-78-1 |
| Catalog No. | 2A-9082029 |
| Chinese Name | 4-溴甲基苯硼酸新戊二醇酯 |
| Synonyms | 2-(4-(Bromomethyl)phenyl)-5,5-dimethyl-1,3,2-dioxaborinane; (3-BROMOMETHYLPHENYL)BORONIC ACID NEOPENTYL GLYCOL ESTER; 2-[3-(Bromomethyl)phenyl]-5,5-dimethyl-1,3,2-dioxaborinane |
| Molecular Formula | C12H16O2Br1B1 |
| Molecular Weight | 282.97 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 369.0±25.0 °C at 760 mmHg |
| Melting Point | 86-90ºC |
| Storage Condition | Room temperature, dry, sealed |
| HTC | 2931900090 |
| MDL Number | MFCD03085921 |
| SMILES | CC1(C)COB(c2ccc(CBr)cc2)OC1 |
| InChI | InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3 |
| InChI Key | HIJSVCZXPKJRHJ-UHFFFAOYSA-N |
| MSDS | msds/82029_1_143805_78_1.pdf |
| 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:C12H16BBrO2 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 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: Irritant; HS Code 2931900090 Synthetic Route 4-Tolylboronic acid CAS#:5720-05-8 Neopentyl glycol CAS#:126-30-7 2-(4-(Bromometh... CAS#:143805-78-1 4-Methylbenzene... CAS#:380481-66-3 4-Methylbenzene... CAS#:380481-66-3 2-(4-(Bromometh... CAS#:143805-78-1 Literature: Gorityala, Bala Kishan; Lu, Zhiqiang; Leow, Min Li; Ma, Jimei; Liu, Xue-Wei Journal of the American Chemical Society, 2012 , vol. 134, # 37 p. 15229 - 15232 4-Methylbenzene... CAS#:380481-66-3 2-(4-(Bromometh... CAS#:143805-78-1 2-(4-(dibromome... CAS#:1006598-62-4 Literature: The Journal of organic chemistry, , vol. 68, # 13 p. 5168 - 5173 Precursor & DownStream Precursor 4 CAS#:5720-05-8 4-Tolylboronic acid CAS#:126-30-7 Neopentyl glycol CAS#:380481-66-3 4-Methylbenzene... CAS#:106-38-7 4-Bromotoluene DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: 3-(Bromomethyl)phenylboronic acid neopentyl glycol ester |
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