기본 정보
- CAS
616880-14-9- 표준 SMILES
CC1(C)OB(c2ccc(NS(C)(=O)=O)cc2)OC1(C)C- InChIKey
NPSPNWPZDXQYAC-UHFFFAOYSA-N- 분자식
- C13H20BNO4S
- 평균 분자량
- 297.2 g/mol
- 단동위원소 질량
- 297.12060952
이름 및 식별자
- 우선 이름
- N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamide
- IUPAC
- N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
- 영어명
- 4-Methanesulfonylaminophenylboronic acid, pinacol ester
- 분자식
- C13H20BNO4S
- 분자량
- 297.18
이름 및 동의어
616880-14-9N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamideN-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanesulfonamideDTXSID20584473RefChem:361644DTXCID70535238627-345-54-METHANESULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTER4-(Methanesulfonylamino)phenylboronic acid pinacol esterMFCD05663876AKOS015894343T3557
이름 더 보기
SKL737Methanesulfona4-(Methylsulfonamido)phenylboronic acid pinacol ester4-Methylsulfonylaminophenylboronic acid,pinacol ester4-(MethanesulfonaMido)phenylboronic acid pinacol ester, 97%4-(Methanesulfonylamino)phenylboronic acid pinacol ester 97%N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]met...2-[4-(Methanesulfonylamino)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolaneN-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-PHENYL)METHANESULFONAMIDE
EN300-10867064-METHYLSULFONYLAMINOPHENYLBORONIC ACID, PINACOL ESTERN-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanesulfonamide4-Methanesulfonylaminophenylboronic acid pinacol esterA868650SCHEMBL1904234-Methylsulfonylaminophenylboronic acid pinacol esterALBB-030559
물성
구조 계산 물성
- 극성 표면적
- 73 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 433
물리화학적 성질
- 녹는점
- 197 · 197-201 °C(lit.)
- 끓는 점
- 414.2 · 414.2±47.0 °C(Predicted)
- 밀도
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 8.45 · 8.45±0.10(Predicted)
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- InChI
- 1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-6-8-11(9-7-10)15-20(5,16)17/h6-9,15H,1-5H3
- InChIKey
- NPSPNWPZDXQYAC-UHFFFAOYSA-N
- SMILES
- CC1(C)OB(OC1(C)C)c2ccc(NS(C)(=O)=O)cc2
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (95.3%)
안전 데이터
- wgk
- 3
- HS 번호
- 2931900090
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
응용 분야
용도2-(4-Methylsulfonylaminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a reagent for the synthesis of selective irreversible BMX kinase inhibitor BMX-IN-1 with antitumor activity.
공급사69 곳
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
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