![(3AS,4S,6S,7AR)-2-ISOBUTYL-3A,5,5-TRIMETHYLHEXAHYDRO-4,6-METHANOBENZO[D][1,3,2]DIOXABOROLE structure, CAS 84110-34-9](/structures/100000/96741_2_84110_34_9.png)
CAS Number84110-34-9
Synonyms(1S,2S,6R,8S)-4-Isobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0]decane; 2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole
Molecular FormulaC14H25BO2
Molecular Weight236.16
Purity96+%
Density1.0±0.1 g/cm3
Boiling Point272.3±9.0 °C at 760 mmHg
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 84110-34-9 |
| Catalog No. | 2A-0096741 |
| Chinese Name | (2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯 |
| Synonyms | (1S,2S,6R,8S)-4-Isobutyl-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0]decane; 2-(2-methylpropyl)-(3aS,4S,6S,7aR)-hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole |
| Molecular Formula | C14H25BO2 |
| Molecular Weight | 236.16 |
| Purity | 96+ |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 272.3±9.0 °C at 760 mmHg |
| Storage Condition | room temperature, dry |
| EINECS | 0 |
| HTC | 2931900090 |
| UN(IATA) | 0 |
| PubChem ID | 85265192 |
| SMILES | CC(C)CB1OC2CC3CC(C3(C)C)C2(C)O1 |
| InChI | InChI=1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1 |
| InChI Key | QGWQMLAZUPRXGK-FMSGJZPZSA-N |
| Use of | health and chemical hazard data given on this sheet. Store in closed vessels, under −20◦C. 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:C14H25BO2 Molecular weight:236.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. 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 2931900090 Synthetic Route Isobutylboronic acid CAS#:84110-40-7 (+)-pinanediol CAS#:57022-61-4 2-Methylpropane... CAS#:84110-34-9 Isobutylboronic acid CAS#:84110-40-7 (1S,2S,3R,5S)-(... CAS#:18680-27-8 2-Methylpropane... CAS#:84110-34-9 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 19, # 12 p. 3220 - 3224 Isobutyl magnes... CAS#:926-62-5 2-(1-methyletho... CAS#:819816-59-6 2-Methylpropane... CAS#:84110-34-9 Precursor & DownStream Precursor 7 CAS#:84110-40-7 Isobutylboronic acid CAS#:57022-61-4 (+)-pinanediol CAS#:18680-27-8 (1S,2S,3R,5S)-(... CAS#:926-62-5 Isobutyl magnes... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: (2-methylpropyl)boronic acid (1S, 2S, 3R, 5S)-(+)-2,3-pinanediol ester |
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