2-아미노톨루엔-5-술폰산

4-Amino-3-methylbenzenesulfonic acid

HCID 7384CAS 98-33-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cc(S(=O)(=O)O)ccc1N
InChIKey: WQTCZINVPXJNEL-UHFFFAOYSA-N
분자식: C7H9NO3S
평균 분자량: 187.22 g/mol
단동위원소 질량: 187.03031415

이름 및 식별자

우선 이름: 4-Amino-3-methylbenzenesulfonic acid
IUPAC: 4-amino-3-methylbenzenesulfonic acid
현지명: 2-아미노톨루엔-5-술폰산
영어명: 2-Aminotoluene-5-sulfonic acid
분자식: C7H9NO3S
분자량: 187.22

이름 및 동의어

98-33-94-Amino-3-methylbenzenesulfonic acidBenzenesulfonic acid, 4-amino-3-methyl-6-Aminotoluene-3-sulfonic acido-Toluidine-m-sulfonic acidET833CB2KUCCRIS 3412AI3-16579UNII-ET833CB2KUNSC-7545EINECS 202-658-6o-Toluidine-4-sulfonic acid

이름 더 보기

2-아미노톨루엔-5-술폰산OTS2-TOLUIDINE-5-SULFONIC ACID6-Amino-m-toluensulfonic acid4-Amino-3-methylbenzene-1-sulfonic acid2-Amino-5-sulfotoluene3-methylsulphanilic acid2-Aminotoluene-5-sulfoni

2-methylaniline-4-sulfonic acid2-METHYL-4-SULFOANILINEDTXSID5059167RefChem:97753DTXCID2049050202-658-6WQTCZINVPXJNEL-UHFFFAOYSA-N2-Aminotoluene-5-sulfonic acid

데이터베이스 식별자

CAS: 98-33-9
PubChem CID: 7384
DTXSID: DTXSID5059167
UNII: ET833CB2KU
EC Number: 202-658-6
Nikkaji: J79.442B

물성

구조 계산 물성

XLogP: 0
극성 표면적: 88.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 244

물리화학적 성질

녹는점: 290 °C · 290°C
밀도: 1.3553 · 1.3553 (rough estimate)
굴절률: 1.61 · 1.6100 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 1 · pK1: 3.125 (25°C)
물리적 상태: 가루
색상: Faint beige to faint red/orange
수용성: 5 g/L · 5g/L(20℃)
InChI: InChI=1S/C7H9NO3S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H,9,10,11)
InChIKey: WQTCZINVPXJNEL-UHFFFAOYSA-N
SMILES: C1(S(O)(=O)=O)=CC=C(N)C(C)=C1
LogP: 0.076 at · 0.076 at 25℃
EPA: 4 · Benzenesulfonic acid, 4-amino-3-methyl- (98-33-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (15.8%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 133 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Chemical: Benzenesulfonic acid, 4-amino-3-methyl-

Status: Active Update: 11-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17643

Hazard Classes and CategoriesSkin Irrit. 2 (15.8%)

안전 데이터

tsca: TSCA listed
ridadr: 2811
HS 번호: 2921420090
risk_code: 45-34
hazard_code: T
safety_code: 53-26-36/37/39-45
포장분류: III
위험 등급: 8

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenesulfonic acid, 4-amino-3-methyl-: ACTIVE

응용 분야 · 1건

개요2-Aminotoluene-5-sulfonic acid is prepared from o-toluidine and 98 % H2SO4 via the sulfate, which is then baked. The sodium salt can be isolated after liming and precipitation of calcium sulfate. The solution can be used directly in the manufacture of dyes.

상·하류 제품 정보

상류 원료

하류 제품

DIRECT ORANGE 118 산성갈색2 산성오렌지색8 trisodium 4-hydroxy-7-[[[[5-hydroxy-7-sulphonato-6-[(o-tolyl)azo]-2-naphthyl]amino]carbonyl]amino]-3-[(2-methyl-4-sulphonatophenyl)azo]naphthalene-2-sulphonate disodium 7-(benzoylamino)-4-hydroxy-3-[[3-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate disodium hydrogen bis[4-[[2,6-dihydroxy-3-[(2-hydroxy-3,5-dinitrophenyl)azo]phenyl]azo]-3- methylbenzenesulphonato(3-)]chromate(3-)2-하이드록시-5-[(2-메틸-4-설포페닐)아조]벤조산이나트륨염 DIRECT RED 24

공급사50 곳

江西益众化工有限公司15307925109 15350027073 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

연결된 노트

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