4-(Methylsulfonyl)phenol

HCID 123350CAS 14763-60-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CS(=O)(=O)c1ccc(O)cc1
InChIKey
KECCFSZFXLAGJS-UHFFFAOYSA-N
분자식
C7H8O3S
평균 분자량
172.2 g/mol
단동위원소 질량
172.01941529

이름 및 식별자

우선 이름
4-(Methylsulfonyl)phenol
IUPAC
4-methylsulfonylphenol
영어명
4-(Methylsulfonyl)phenol
분자식
C7H8O3S
분자량
172.2

이름 및 동의어

4-(Methylsulfonyl)phenol4-Hydroxyphenyl methyl sulfonePhenol, p-(methylsulfonyl)-p-(Methylsulfonyl)phenolp-Hydroxyphenyl methyl sulfone4-(methanesulfonyl)phenolUNII-F7BIF7ZQJ9F7BIF7ZQJ9P-(METHANESULFONYL)PHENOLDTXSID80163763BENZENE,1-HYDROXY,4-METHYLSULFONYL (PHENOL,4-METHYLSULFONYL)RefChem:97500
이름 더 보기
4-METHYLSULPHONYLPHENOL4-Mesylphenol4-Methylsulfonylphenp-Methylsulphonylphenol4-(methylsulfonyl)-phenop-(methylsulfonyl)-pheno
DTXCID6086254632-596-9InChI=1/C7H8O3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5,8H,1H14763-60-14-methylsulfonylphenolphenol, 4-(methylsulfonyl)-4-methanesulfonylphenol4-Methanesulfonyl-phenol

데이터베이스 식별자

CAS
14763-60-1
PubChem CID
123350
DTXSID
DTXSID80163763
ChEMBL
CHEMBL66861
UNII
F7BIF7ZQJ9
EC Number
632-596-9
Nikkaji
J135.917G

물성

구조 계산 물성

XLogP
0.1
극성 표면적
62.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
11

물리화학적 성질

녹는점
90 · 90-95 °C
끓는 점
272.52 °C · 272.52°C (rough estimate)
밀도
1.3692 · 1.3692 (rough estimate)
굴절률
1.5151 · 1.5151 (estimate)
저장 조건
Inert atmosphere,Room Temperature
용해도
DMSO및메탄올에 용해됨

화학적 성질

Tan to pink-brown powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (14.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.9%): 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 47 reports by companies from 5 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (14.9%)；Eye Irrit. 2 (100%)；STOT SE 3 (14.9%)

안전 데이터

wgk
3
HS 번호
29309090
risk_code
36
hazard_code
Xi
safety_code
24/25-26
위험 참고 사항
Irritant

화학 및 산업

응용 분야

용도4-(Methylsulfonyl)phenol is a reagent in the synthesis of pyrazolo[3,4-d]pyrimidine derivatives as GPR119 agonists. Also a reagent in the synthesis of novel 2-(pyridine-2-yl)-1H-benzimidazole derivatives as potent glucokinase activators.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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