에틸3-(4,4,5,5-테트라메틸-1,3,2-DIOXABOROLAN-2-YL)벤조에이트
Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
기본 정보
- CAS
269410-00-6- 표준 SMILES
CCOC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
RQKGHIGGSFNVGW-UHFFFAOYSA-N- 분자식
- C15H21BO4
- 평균 분자량
- 276.14 g/mol
- 단동위원소 질량
- 276.15328955
이름 및 식별자
- 우선 이름
- Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- IUPAC
- ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- 현지명
- 에틸3-(4,4,5,5-테트라메틸-1,3,2-DIOXABOROLAN-2-YL)벤조에이트
- 영어명
- Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- 분자식
- C15H21BO4
- 분자량
- 276.14
이름 및 동의어
269410-00-6Ethyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate3-Ethoxycarbonylphenylboronic acid pinacol ester3-Ethoxycarbonylphenylboronic acid, pinacol esterMFCD03093896(3-(ETHOXYCARBONYL)PHENYL)BORONIC ACID PINACOL ESTER3-Carboethoxyphenylboronic acid pinacol ester3-CarboetETHYL 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ETHYL BENZOATE;3-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER;Ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,min.97%;3-carboethoethyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateFT-0648011SCHEMBL1598557
이름 더 보기
에틸3-(4,4,5,5-테트라메틸-1,3,2-DIOXABOROLAN-2-YL)벤조에이트Ethyl-3-(43-carboethoCAS:269410-00-63-Ethoxycarbonylphenylboronicacid pinacol3-Ethyl ester phenylboronic acid pinacol ester,3-(Ethoxycarbonyl)benzeneboronic acid, pinacol ester3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate3-(Ethoxycarbonyl)benzeneboronic acid, pinacol ester 98%
SCHEMBL296284353-CARBOETHOXYPHENYLBORONICDTXSID70378804RQKGHIGGSFNVGW-UHFFFAOYSA-NAKOS015894443AB13283CS-W000905AS-32767
데이터베이스 식별자
- CAS
269410-00-6- PubChem CID
- 2773966
- DTXSID
DTXSID70378804- EC Number
- 623-082-5
- Nikkaji
- J1.898.073H
물성
구조 계산 물성
- 극성 표면적
- 44.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 351
물리화학적 성질
- 녹는점
- 40 · 40-44 °C(lit.)
- 끓는 점
- 378.6 · 378.6±25.0 °C(Predicted)
- 밀도
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 물리적 상태
- 가루
- 색상
- 하얀색
- InChI
- 1S/C15H21BO4/c1-6-18-13(17)11-8-7-9-12(10-11)16-19-14(2,3)15(4,5)20-16/h7-10H,6H2,1-5H3
- InChIKey
- RQKGHIGGSFNVGW-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cccc(c1)B2OC(C)(C)C(C)(C)O2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
관련 반응
2건
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