4-(Methylthio)aniline (HCID 66038)

개요

4-(methylthio) aniline is an aryl sulfide.

이름 및 식별자

우선 이름: 4-(Methylthio)aniline
IUPAC: 4-methylsulfanylaniline
영어명: 4-(Methylmercapto)aniline
분자식: C7H9NS
분자량: 139.22

이름 및 동의어

4-(Methylthio)aniline104-96-1p-(Methylthio)anilineBenzenamine, 4-(methylthio)-4-(Methylthio)benzenamineThioanisidineAniline, p-(methylthio)-NSC-75842FNT8J4PB8YDTXSID7059309RefChem:97508DTXCID6032857

이름 더 보기

AKOS 91153TIMTEC-BB SBB0066584-(Methylmercapto)anp-(methylthio)-anilin

203-256-34-(Methylmercapto)aniline4-Aminothioanisole4-(Methylsulfanyl)anilinep-Thioanisidine4-methylsulfanylanilinep-Aminothioanisolep-Thiomethoxyaniline

데이터베이스 식별자

CAS: 104-96-1
PubChem CID: 66038
DTXSID: DTXSID7059309
ChEBI: CHEBI:167852
UNII: FNT8J4PB8Y
EC Number: 203-256-3
Nikkaji: J28.395I

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 51.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 77

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 156 · 156-158 °C
끓는 점: 272 · 272-273 °C(lit.)
밀도: 1.119 g/mL · 1.119 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.639(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
물리적 상태: 액체
산도 계수 (pKa): 4.35 · 4.35(at 25℃)
색상: 투명한 주황색에서 갈색-빨간색까지
BRN: 774506 · 774506
InChI: InChI=1S/C7H9NS/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey: YKFROQCFVXOUPW-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(SC)C=C1
NIST: 4 · 4-Methylmercaptoaniline(104-96-1)
EPA: 4 · Benzenamine, 4-(methylthio)- (104-96-1)

화학적 성질

clear orange to brown-red liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (15.2%): 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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.