3-[(메틸아미노)술포닐]벤조산

3-(Methylsulfamoyl)benzoic acid

HCID 252654

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 35623-11-1
표준 SMILES: CNS(=O)(=O)c1cccc(C(=O)O)c1
InChIKey: UTZKLODUDPSLBT-UHFFFAOYSA-N
분자식: C8H9NO4S
평균 분자량: 215.23 g/mol
단동위원소 질량: 215.02522894

이름 및 식별자

우선 이름: 3-(Methylsulfamoyl)benzoic acid
IUPAC: 3-(methylsulfamoyl)benzoic acid
현지명: 3-[(메틸아미노)술포닐]벤조산
영어명: 3-[(Methylamino)sulphonyl]benzoic acid
분자식: C8H9NO4S
분자량: 215.23

이름 및 동의어

3-(methylsulfamoyl)benzoic acidRefChem:495538630-009-035623-11-13-[(Methylamino)sulphonyl]benzoic acid3-methylsulfamoyl-benzoic acid3-(N-Methylsulfamoyl)benzoic acidMFCD027078763-[(Methylamino)sulfonyl]benzenecarboxylic acidBenzoic acid, 3-[(methylamino)sulfonyl]-3-[(methylamino)sulfonyl]benzoic acidNSC74787

이름 더 보기

3-[(메틸아미노)술포닐]벤조산NSC 747873-(Methylsulphamoyl)benzoic acidBenzoic acid,3-[(MethylaMino)sulfonyl]-3-[(Methylamino)sulphonyl]benzoic acid, 3-Carboxy-N-methylbenzenesulphonamide

3-[(Methylamino)sulphonyl]benzoicAcidOprea1_641871SCHEMBL35539SCHEMBL30147625DTXSID70291307UTZKLODUDPSLBT-UHFFFAOYSA-NHMS1755L18KBA62311

데이터베이스 식별자

CAS: 35623-11-1
PubChem CID: 252654
DTXSID: DTXSID70291307
EC Number: 630-009-0

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 91.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 306

물리화학적 성질

녹는점: 211 · 211-213°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 고체
색상: 베이지색

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.