3-(N,N-디메틸아미노폴리아미드)벤즈네붕산

3-(N,N-Dimethylsulphonamido)benzeneboronic acid

HCID 44119634

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 871329-59-8
표준 SMILES: CN(C)S(=O)(=O)c1cccc(B(O)O)c1
InChIKey: SGERXKCDWJPIOS-UHFFFAOYSA-N
분자식: C8H12BNO4S
평균 분자량: 229.07 g/mol
단동위원소 질량: 229.05800926

이름 및 식별자

우선 이름: 3-(N,N-Dimethylsulphonamido)benzeneboronic acid
IUPAC: [3-(dimethylsulfamoyl)phenyl]boronic acid
현지명: 3-(N,N-디메틸아미노폴리아미드)벤즈네붕산
영어명: 3-(N,N-Dimethylsulphonamido)benzeneboronic acid
분자식: C8H12BNO4S
분자량: 229.06

이름 및 동의어

3-(N,N-Dimethylsulphonamido)benzeneboronic acidRefChem:495646688-403-3871329-59-8(3-(N,N-Dimethylsulfamoyl)phenyl)boronic acid[3-(Dimethylsulfamoyl)phenyl]boronic acidN,N-Dimethyl 3-BoronobenzenesulfonamideMFCD073637473-(N,N-dimethylsulfamoyl)phenylboronic acidBoronic acid, [3-[(dimethylamino)sulfonyl]phenyl]-3-(N,N-dimethyls(3-(N,N-Dimethylsulfamoyl)phenyl)boronicacid

이름 더 보기

3-(N,N-디메틸아미노폴리아미드)벤즈네붕산3-N,N-DIMETHYLSULFAMOYLPHENYLBORONIC ACID3-(DiMethylsulfaMoyl)benzeneboronic acid, 98%3-(N,N-DIMETHYLSULFONAMIDOPHENYL)BORONIC ACID3-(N,N-Dimethylsulfonamido)benzeneboronic acid3-(N,N-Dimethylsulphonamido)benzeneboronicacid98%B-[3-[(dimethylamino)sulfonyl]phenyl]boronic acid3-(N,N-Dimethylsulphonamido)benzeneboronic acid 98%Boronic acid, B-[3-[(dimethylamino)sulfonyl]phenyl]-

SCHEMBL957571SCHEMBL29956809DTXSID20657338SGERXKCDWJPIOS-UHFFFAOYSA-NAKOS015833681AB30677PS-9456DA-35228

데이터베이스 식별자

CAS: 871329-59-8
PubChem CID: 44119634
DTXSID: DTXSID20657338
EC Number: 688-403-3
Nikkaji: J2.934.628C

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: 298

물리화학적 성질

녹는점: 88 · 88-92
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: 고체
색상: 하얀색

안전 및 규제

GHS 분류

GHS Classification · 4건

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.