기본 정보
- CAS
603143-27-7- 표준 SMILES
CC1(C)OB(c2ccc(S(C)(=O)=O)cc2)OC1(C)C- InChIKey
BDOSWBBKOSGKAV-UHFFFAOYSA-N- 분자식
- C13H19BO4S
- 평균 분자량
- 282.2 g/mol
- 단동위원소 질량
- 282.10971049
이름 및 식별자
- 우선 이름
- 2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- IUPAC
- 4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane
- 현지명
- 4-(메탄술포닐)페닐보론산피나콜에스테르
- 영어명
- 4-(Methanesulfonyl)phenylboronic acid pinacol ester
- 분자식
- C13H19BO4S
- 분자량
- 282.16
이름 및 동의어
2-(4-Methanesulfonylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneRefChem:457865675-103-2603143-27-74,4,5,5-Tetramethyl-2-(4-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane4-(Methanesulfonyl)phenylboronic acid pinacol ester4,4,5,5-tetramethyl-2-(4-methylsulfonylphenyl)-1,3,2-dioxaborolane4-(methanesulfonyl)phenylboronic acid, pinacol esterMFCD058639214,4,5,5-tetramethyl-2-[4-(methylsulfonyl)phenyl]-1,3,2-dioxaborolane4-(Methylsulfonyl)phenylboronic acid pinacol ester4-methylsulfonylphenylboronic acid, pinacol ester
이름 더 보기
4-(메탄술포닐)페닐보론산피나콜에스테르-1,3,2-dioxaborolane4,4,5,5-Tetramethyl-2-(4-(methylsulfonyl)4-Methylsulfonylphenylboronic acid,pinacol ester4-(Methylsulfonyl)benzeneboronic acid pinacol ester2-(4-METHYLSULFONYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[4-(methylsulfonyl)phenyl]-
2-(4-methanesulfonylphenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane4-Methylsulfonylphenylboronic acid pinacol esterSCHEMBL10904DTXSID30374822BDOSWBBKOSGKAV-UHFFFAOYSA-NCS-M1424AKOS015960086AB22736
데이터베이스 식별자
- CAS
603143-27-7- PubChem CID
- 2759530
- DTXSID
DTXSID30374822- EC Number
- 675-103-2
- Nikkaji
- J3.709.450A
물성
구조 계산 물성
- 극성 표면적
- 61 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 414
물리화학적 성질
- 녹는점
- 162 · 162-163°C
- 끓는 점
- 421.1 · 421.1±37.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (50%)
안전 데이터
- HS 번호
- 2931900090
화학 및 산업
공급사63 곳
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