4'-Fluorobiphenyl-4-sulfonyl chloride

HCID 2794749CAS 116748-66-4

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)c1ccc(-c2ccc(F)cc2)cc1
InChIKey: CIDMHDJTWVMBIF-UHFFFAOYSA-N
Summenformel: C12H8ClFO2S
Durchschnittliche Molmasse: 270,71 g/mol
Monoisotopische Masse: 269,9917565

Namen und Bezeichner

Bevorzugter Name: 4'-Fluorobiphenyl-4-sulfonyl chloride
IUPAC: 4-(4-fluorophenyl)benzenesulfonyl chloride
Englischer Name: 4'-FLUORO[1,1'-BIPHENYL]-4-SULFONYL CHLORIDE
Summenformel: C12H8ClFO2S
Molmasse: 270.71

Namen und Synonyme

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

Weitere Namen anzeigen

BUTTPARK 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 17
Formalladung: 0
Komplexität: 336

Physikochemische Eigenschaften

Schmelzpunkt: 82 °C · 82 °C
Siedepunkt: 372.9 · 372.9±25.0 °C(Predicted)
Dichte: 1.384 · 1.384±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
Aggregatzustand: 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
CAS Datenbank: 116748 · 116748-66-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.