1,2-Difluoro-4-(methylsulfonyl)benzene

HCID 2782743

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 424792-57-4
표준 SMILES: CS(=O)(=O)c1ccc(F)c(F)c1
InChIKey: WMBJGJXMKCOHGG-UHFFFAOYSA-N
분자식: C7H6F2O2S
평균 분자량: 192.19 g/mol
단동위원소 질량: 192.00565687

이름 및 식별자

우선 이름: 1,2-Difluoro-4-(methylsulfonyl)benzene
IUPAC: 1,2-difluoro-4-methylsulfonylbenzene
영어명: 1,2-DIFLUORO-4-(METHYLSULFONYL)BENZENE
분자식: C7H6F2O2S
분자량: 192.18

이름 및 동의어

1,2-Difluoro-4-(methylsulfonyl)benzene424792-57-4DTXSID20382259RefChem:215932DTXCID00333284674-385-41,2-difluoro-4-methylsulfonylbenzene3,4-difluorophenyl methyl sulfone1,2-difluoro-4-methanesulfonylbenzeneMFCD040379341,2-difluoro-4-methylsulfonyl-benzene1,2-difluoro-4-(methanesulfonyl)benzene

이름 더 보기

EOS-604693,4-Difluorophenyl methyl sulphone3,4-DifluorophenylMethylSulfone>1,2-difluoro-4-methanesulfonyl-benzene1,2-Difluoro-4-(methylsulphonyl)benzene

1,2-Difluoro-4-methanesulfonyl-benzeneSCHEMBL646030BENZENE, 1,2-DIFLUORO-4-(METHYLSULFONYL)-SCHEMBL30041432WMBJGJXMKCOHGG-UHFFFAOYSA-NSBB091409AKOS006228234CS-W015819

데이터베이스 식별자

CAS: 424792-57-4
PubChem CID: 2782743
DTXSID: DTXSID20382259
EC Number: 674-385-4

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 245

물리화학적 성질

녹는점: 71 °C · 71°C
저장 조건: Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: 1S/C7H6F2O2S/c1-12(10,11)5-2-3-6(8)7(9)4-5/h2-4H,1H3
InChIKey: WMBJGJXMKCOHGG-UHFFFAOYSA-N
SMILES: Fc1c(ccc(c1)[S](=O)(=O)C)F

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (90%): 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 20 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.