5-Amino-2-methylbenzenesulfonamide

HCID 235511CAS 6973-09-7

기본 정보

표준 SMILES: Cc1ccc(N)cc1S(N)(=O)=O
InChIKey: KTPBKMYOIFHJMI-UHFFFAOYSA-N
분자식: C7H10N2O2S
평균 분자량: 186.23 g/mol
단동위원소 질량: 186.04629856

이름 및 식별자

우선 이름: 5-Amino-2-methylbenzenesulfonamide
IUPAC: 5-amino-2-methylbenzenesulfonamide
영어명: 5-Amino-2-methylbenzenesulfonamide
분자식: C7H10N2O2S
분자량: 186.23

이름 및 동의어

5-amino-2-methylbenzenesulfonamide6973-09-7DTXSID40284367RefChem:101938DTXCID60235518691-180-53-Amino-6-methylbenzenesulfonamide5-amino-2-methylbenzene-1-sulfonamide2-methyl-5-aminobenzene sulfonamideMFCD06681071Benzenesulfonamide, 5-amino-2-methyl-5-amino-2-methyl-benzenesulfonamide

이름 더 보기

6973/9/7methyl 2,4-difluoro-5-nitrobenzoate(2Z)-2-[(3R,4S,5S,8S,9S,10S,11R,13R,14S,16S)-16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acidPAZ70Compound FL0144Pazopanib Impurity 445-Amino-2-Methylsulfonamide

p-Aminotoluol-sulfonamidNSC369693-amino-6-methyl-benzenesulfonamideNSC-36969AKOS000123046PB18742SY003683F9995-0234

데이터베이스 식별자

CAS: 6973-09-7
PubChem CID: 235511
DTXSID: DTXSID40284367
UNII: 9T9UQY39RW
EC Number: 691-180-5
Nikkaji: J2.596.122F

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 94.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 163 · 163-164℃
끓는 점: 421.5 · 421.5±55.0 °C(Predicted)
밀도: 1.359 · 1.359±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 10.43 · 10.43±0.60(Predicted)
물리적 상태: 고체
색상: 페일베이지
안정성: 흡습성
InChI: InChI=1S/C7H10N2O2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey: KTPBKMYOIFHJMI-UHFFFAOYSA-N
SMILES: C1(S(N)(=O)=O)=CC(N)=CC=C1C

화학적 성질

White to Light yellow to Light orange powder to crystal.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 50% (6 of 12) of reports.

Warning

H315 (50%): 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)

Aggregated GHS information provided per 12 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/31396

Hazard Classes and CategoriesSkin Irrit. 2 (50%)

안전 데이터

HS 번호: 2935.90.9500

화학 및 산업

응용 분야

용도5-Amino-2-methylbenzenesulfonamide is an intermediate for the synthesis of Pazopanib (P210925), an oral angiogenesis inhibitor targeting VEGFR and PDGFR.