4'-FLUORO[1,1'-BIPHENYL]-4-술포닐염화물

4'-Fluorobiphenyl-4-sulfonyl chloride

HCID 2794749

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 116748-66-4
표준 SMILES: O=S(=O)(Cl)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: CIDMHDJTWVMBIF-UHFFFAOYSA-N
분자식: C12H8ClFO2S
평균 분자량: 270.71 g/mol
단동위원소 질량: 269.9917565

이름 및 식별자

우선 이름: 4'-Fluorobiphenyl-4-sulfonyl chloride
IUPAC: 4-(4-fluorophenyl)benzenesulfonyl chloride
현지명: 4'-FLUORO[1,1'-BIPHENYL]-4-술포닐염화물
영어명: 4'-FLUORO[1,1'-BIPHENYL]-4-SULFONYL CHLORIDE
분자식: C12H8ClFO2S
분자량: 270.71

이름 및 동의어

116748-66-44'-Fluorobiphenyl-4-sulfonyl chlorideDTXSID50383375RefChem:283431DTXCID20334399673-507-34-(4-fluorophenyl)benzenesulfonyl Chloride4'-fluoro[1,1'-biphenyl]-4-sulfonyl chloride4'-fluoro-[1,1'-biphenyl]-4-sulfonyl chloride[1,1'-Biphenyl]-4-sulfonyl chloride, 4'-fluoro-MFCD016319214'-Fluoro-1,1'-biphenyl-4-sulfonyl chloride

이름 더 보기

4'-FLUORO[1,1'-BIPHENYL]-4-술포닐염화물BUTTPARK 99\57-744'-FLUORO-BIPHENYL-4-SULFONYL CHLORIDE4'-Fluorobiphenyl-4-sulfonyl chloride 95%4-(Fluorophenyl)benzenesulphonyl chloride[4-(4-FLUOROPHENYL)PHENYL]SULFONYL CHLORIDE4′-Fluoro[1,1′-biphenyl]-4-sulfonyl chloride, CAS 116748-66-4

AKOS000813774AS-45269EN300-236118F9995-04654/'-FLUORO[1,1/'-BIPHENYL]-4-SULFONYL CHLORIDEOXYMETAZOLINEHCL[1,1'-Biphenyl]-4-sulfonylchloride, 4'-fluoro-FT-0642847

데이터베이스 식별자

CAS: 116748-66-4
PubChem CID: 2794749
DTXSID: DTXSID50383375
EC Number: 673-507-3

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 42.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 336

물리화학적 성질

녹는점: 82 °C · 82 °C
끓는 점: 372.9 · 372.9±25.0 °C(Predicted)
밀도: 1.384 · 1.384±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: solid
InChI: 1S/C12H8ClFO2S/c13-17(15,16)12-7-3-10(4-8-12)9-1-5-11(14)6-2-9/h1-8H
InChIKey: CIDMHDJTWVMBIF-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)-c2ccc(cc2)S(Cl)(=O)=O

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory.；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.