Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 5708413생성일: 2026년 10월 27일
4,4,5,5-tetramethyl-2-((E)-2-phenylethenyl)-1,3,2-dioxaborolane
(E)-4,4,5,5-tetramethyl-2-styryl-1,3,2-dioxaborolane · trans-2-Phenylvinylboronic acid pinacol ester · E-Styrylboronic acid pinacol ester · BETA-STYRYLBORONIC ACID PINACOL ESTER · TRANS-STYRYLBORONIC ACID, PINACOL ESTER · trans-2-Styreneboronic acid pinacol ester · trans-^b-Styrylboronic acid pinacol ester, 99% · [(E)-2-Phenylvinyl]boronic acid, pinacol ester
https://huagongshe.com/ko/chemical/5708413
식별자 및 물리적 특성
| CAS No. | 78782-27-1 |
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| 분자식 | C14H19BO2 |
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| 평균 분자량 | 230.11 g/mol |
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| 단동위원소 질량 | 230.14781025 g/mol |
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| SMILES | CC1(C)OB(/C=C/c2ccccc2)OC1(C)C |
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| InChIKey | ARAINKADEARZLZ-ZHACJKMWSA-N |
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| PubChem CID | 5708413 |
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| ChEMBL | CHEMBL2315711 |
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| EC No. | 641-148-1 |
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| DTXSID | DTXSID701382361 |
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화학 및 물리적 성질
| 극성 표면적 | 18.5 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 2 |
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| 무거운 원자 수 | 17 |
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| 형식 전하 | 0 |
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| 복잡도 | 275 |
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| 녹는점 | 27-33 °C(lit.) |
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| 끓는 점 | 128°C/4mm |
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| 밀도 | 0.99±0.1 g/cm3(Predicted) |
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| 굴절률 | 1.5290 |
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| 인화점 | >230 °F |
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| 저장 조건 | Inert atmosphere,Store in freezer, under -20°C |
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| 물리적 상태 | 액체 |
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| 색상 | 무색~담황색 투명 |
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| BRN | 8617179 |
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| InChI | InChI=1S/C14H19BO2/c1-13(2)14(3,4)17-15(16-13)11-10-12-8-6-5-7-9-12/h5-11H,1-4H3/b11-10+ |
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| InChIKey | ARAINKADEARZLZ-ZHACJKMWSA-N |
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| SMILES | O1C(C)(C)C(C)(C)OB1/C=C/C1=CC=CC=C1 |
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안전 및 규제
| GHS 분류 | WarningH302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Not Classified |
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| Hazard Classes and Categories | Acute Tox. 4 (50%)Not Classified |
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| 수질 위해 등급(WGK) | 3 |
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| 관세 코드 | 29310099 |
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| 저장 분류 | 10 - Combustible liquids |
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용도
용도
Reactant for:Oxidative coupling reactions catalyzed by arenerutheniumCycloaddition reactionsPreparation of allyl vinyl ethers via Cu-catalyzed coupling with alcoholsPreparation of 5-vinyl-3-pyridinecarbonitriles as PKCθ inhibitorsDiastereoselective addition to zincated hydrazones and stereospecific trapping of boron/zinc bimetallic intermediates by carbon electrophilesRegioselective and stereoselective Pd-catalyzed chelate-controlled intermolecular oxidative Heck reactions
