1-Fluoro-4-(methylsulphonyl)benzene

HCID 67994CAS 455-15-2

기본 정보

표준 SMILES: CS(=O)(=O)c1ccc(F)cc1
InChIKey: DPJHZJGAGIWXTD-UHFFFAOYSA-N
분자식: C7H7FO2S
평균 분자량: 174.19 g/mol
단동위원소 질량: 174.01507868

이름 및 식별자

우선 이름: 1-Fluoro-4-(methylsulphonyl)benzene
IUPAC: 1-fluoro-4-methylsulfonylbenzene
영어명: 4-Fluorophenyl methyl sulfone
분자식: C7H7FO2S
분자량: 174.19

이름 및 동의어

4-Fluorophenyl methyl sulfone455-15-21-Fluoro-4-(methylsulphonyl)benzeneDTXSID80196531EINECS 207-237-0NSC 226256RefChem:432824DTXCID20119022207-237-0InChI=1/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H1-Fluoro-4-(methylsulfonyl)benzeneBenzene, 1-fluoro-4-(methylsulfonyl)-

이름 더 보기

4-Fluorophenyl4-FLUOROPHENYL METHYFormula: FC6H4SO2CH3Etoricoxib Impurity 125Bicalutamide Impurity 30Methyl 4-fluorophenyl sulfoneMethyl(4-fluorophenyl) sulfone4-FLUOROPHENYL METHYL SULPHONE

1-fluoro-4-methylsulfonylbenzene1-fluoro-4-methanesulfonylbenzeneMFCD00039753Sulfone, p-fluorophenyl methyl8Z2TY4MZF4p-fluorophenyl methyl sulfoneHMS1729A151-Fluoro-4-(methylsulfonyl)benzene #

데이터베이스 식별자

CAS: 455-15-2
PubChem CID: 67994
DTXSID: DTXSID80196531
UNII: 8Z2TY4MZF4
EC Number: 207-237-0
Nikkaji: J124.118D

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 209

물리화학적 성질

녹는점: 78 · 78-81 °C (lit.)
끓는 점: 95 · 95-97°C 7mm
밀도: 1.2768 · 1.2768 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 디클로로메탄, 디메틸설폭사이드, 메탄올에 용해됨
물리적 상태: 결정성 분말
색상: 거의 흰색
BRN: 2045674 · 2045674
InChI: InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChIKey: DPJHZJGAGIWXTD-UHFFFAOYSA-N
SMILES: C1(F)=CC=C(S(C)(=O)=O)C=C1

화학적 성질

White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.