4-(N,N-Dimethylsulphonamido)benzeneboronic acid

HCID 44119328

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 486422-59-7
표준 SMILES: CN(C)S(=O)(=O)c1ccc(B(O)O)cc1
InChIKey: VVUGXBSXXJTVDS-UHFFFAOYSA-N
분자식: C8H12BNO4S
평균 분자량: 229.07 g/mol
단동위원소 질량: 229.05800926

이름 및 식별자

우선 이름: 4-(N,N-Dimethylsulphonamido)benzeneboronic acid
IUPAC: [4-(dimethylsulfamoyl)phenyl]boronic acid
영어명: 4-(N,N-Dimethylsulphonamido)benzeneboronic acid
분자식: C8H12BNO4S
분자량: 229.06

이름 및 동의어

4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACIDRefChem:516463692-889-2486422-59-74-(N,N-Dimethylsulfamoyl)phenylboronic acid[4-(dimethylsulfamoyl)phenyl]boronic acidN,N-DIMETHYL 4-BORONOBENZENESULFONAMIDEMFCD06659849(4-(N,N-dimethylsulfamoyl)phenyl)boronic acid{4-[(dimethylamino)sulfonyl]phenyl}boronic acid4-(N,N-Dimethylsulfamoyl)phenylboronicacidBoronic acid, [4-[(dimethylamino)sulfonyl]phenyl]-

이름 더 보기

4-(N,N-Dimethylsulfamoyl)N,N-DIMETHYL 4-BORONOBENZENESULPHONAMIDE4-Borono-N,N-dimethylbenzenesulphonamide5-(N,N-dimethylsulfamoyl)phenylboronic acid4-(DiMethylsulfaMoyl)benzeneboronic acid, 95%4-[(DIMETHYLAMINO)SULFONYL]PHENYLBORONIC ACID"(DiMethylsulfaMoyl)benzeneboronic acid, 95% "

n,n-dimethyl-4-boronobenzenesulfonamideN, N-dimethyl-3-boronobenzenesulfonamide4-N,N-Dimethylsulfamoylphenylboronic acid4-N,N-DimeSCHEMBL1362814-(N,N-DIMETHYLSULFONAMIDOPHENYL)BORONIC ACIDDTXSID70657141VVUGXBSXXJTVDS-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 486422-59-7
PubChem CID: 44119328
DTXSID: DTXSID70657141
EC Number: 692-889-2

물성

구조 계산 물성

극성 표면적: 86.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 290

물리화학적 성질

녹는점: 140 · 140-144
끓는 점: 410 · 410.0±55.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
저장 조건: 2 · Inert atmosphere,2-8°C
물리적 상태: 고체
산도 계수 (pKa): 7.39 · 7.39±0.10(Predicted)
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

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.