| Chemical & Physical Properties | |
|---|---|
| CAS Number | 256383-44-5 |
| Catalog No. | 2A-0097780 |
| Chinese Name | 4-N-庚基苯硼酸 |
| Synonyms | 4-heptylphenylboronic acid; p-C7H15PhB(OH)2; 4-(Hept-1-yl)benzeneboronic acid; 4-(n-heptyl)phenylboronic acid |
| Molecular Formula | C13H21O2B1 |
| Molecular Weight | 220.12 |
| Purity | 96+ |
| Density | 0.99g/cm3 |
| Boiling Point | 357ºC at 760mmHg |
| EINECS | 0 |
| HTC | 2931900090 |
| UN(IATA) | 0 |
| PubChem ID | 6152438 |
| MDL Number | MFCD04039028 |
| SMILES | CCCCCCCc1ccc(B(O)O)cc1 |
| InChI | InChI=1S/C13H21BO2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11,15-16H,2-7H2,1H3 |
| InChI Key | RFBUNLZEBLXJKX-UHFFFAOYSA-N |
| MSDS | msds/97780_1_256383_44_5.pdf |
| 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:C13H21BO2 Molecular weight:220.1 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 Hazard Codes Xi: Irritant; HS Code 2931900090 Synthetic Route 1-Bromo-4-hepty... CAS#:76287-49-5 (4-heptylphenyl... CAS#:256383-44-5 Literature: Tetrahedron, , vol. 59, # 24 p. 4377 - 4381 pinacol(4-hepty... CAS#:1359844-04-4 (4-heptylphenyl... CAS#:256383-44-5 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 3 p. 1397 - 1401 heptylboronic acid CAS#:28741-07-3 (4-heptylphenyl... CAS#:256383-44-5 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 22, # 3 p. 1397 - 1401 Precursor & DownStream Precursor 6 CAS#:76287-49-5 1-Bromo-4-hepty... CAS#:28741-07-3 heptylboronic acid CAS#:17763-80-3 4-nitrophenyl t... CAS#:37529-27-4 4-Heptylaniline DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | AB (Inbound cargo customs clearance form) |
| Transport Info | Product name: (4-heptylphenyl)boric acid |
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