4-(Methylthio)phenol (HCID 14086)

개요

4-(methylsulfanyl)phenol is a member of phenols and an aryl sulfide.

이름 및 식별자

우선 이름: 4-(Methylthio)phenol
IUPAC: 4-methylsulfanylphenol
영어명: 4-(Methylthio)phenol
분자식: C7H8OS
분자량: 140.2

이름 및 동의어

4-(Methylthio)phenol1073-72-94-(Methylmercapto)phenolPhenol, 4-(methylthio)-p-(Methylthio)phenol4-Methylmercaptophenolp-HydroxythioanisolePHENOL, p-(METHYLTHIO)-p-Hydroxyphenyl methyl sulfide4-Hydroxyphenyl methyl sulfide9T83QI0Z1LNSC-75840

이름 더 보기

FEXI-0034-Methtyl phenolMethylMercapto)pheno4-(methylthio)-phenop-(methylthio)-phenoOf (Methylthio) phenol

DTXSID3051547RefChem:97515DTXCID4030099214-031-44-methylsulfanylphenol4-(Methylsulfanyl)phenol4-HydroxythioanisoleMFCD00002351

데이터베이스 식별자

CAS: 1073-72-9
PubChem CID: 14086
DTXSID: DTXSID3051547
ChEBI: CHEBI:38862
UNII: 9T83QI0Z1L
EC Number: 214-031-4
Nikkaji: J27.293K

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 45.5 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

LogP1.78

물리화학적 성질

녹는점: 84 · 84-86 (lit.)
끓는 점: 153 · 153-156 °C/20 mmHg (lit.)
밀도: 1.1182 · 1.1182 (rough estimate)
굴절률: 1.553 · 1.5530 (estimate)
인화점: 153 · 153-156°C/20mm
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 분말 또는 결정성 분말
산도 계수 (pKa): 9.53 · 9.53(at 25℃)
색상: 흰색에서 옅은 갈색까지
수용성: 9.59 g/l · 물에 용해됨 9.59g/l.
InChI: 1S/C7H8OS/c1-9-7-4-2-6(8)3-5-7/h2-5,8H,1H3
InChIKey: QASBCTGZKABPKX-UHFFFAOYSA-N
SMILES: CSc1ccc(O)cc1
LogP: 1.78 · 1.780
NIST: 4 · Phenol, 4-(methylthio)-(1073-72-9)
EPA: 4 · Phenol, 4-(methylthio)- (1073-72-9)

화학적 성질

White solid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 2% (1 of 50) of reports.

Warning

H315 (98%): 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: SM1578500
ridadr: UN 3335
HS 번호: 29309090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37
위험 등급: STENCH
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPhenol, 4-(methylthio)-: INACTIVE

응용 분야 · 2건

용도4-(Methylmercapto)phenol [4-(Methylthio)phenol] may be used in the preparation of phosphoramidodithioate intermediates for the synthesis of sulprofos amidate.

일반 설명4-(Methylmercapto)phenol (4MP) mediates the removal of benzyloxycarbonyl and O-benzyl protecting groups by accepting the benzyl groups during the acidolytic cleavage with trifluoroacetic acid. The presence of hydroxyl group in the para position enhances the rate of hydrodesulfurization (HDS) of 4MP.