2,4,6-Trifluorobenzenesulfonyl chloride

HCID 2776983CAS 220239-64-5

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Grundinformationen

Standard-SMILES: O=S(=O)(Cl)c1c(F)cc(F)cc1F
InChIKey: XINCBNCLCIQIJM-UHFFFAOYSA-N
Summenformel: C6H2ClF3O2S
Durchschnittliche Molmasse: 230,59 g/mol
Monoisotopische Masse: 229,9416127

Namen und Bezeichner

Bevorzugter Name: 2,4,6-Trifluorobenzenesulfonyl chloride
IUPAC: 2,4,6-trifluorobenzenesulfonyl chloride
Englischer Name: 2,4,6-Trifluorobenzenesulfonyl chloride
Summenformel: C6H2ClF3O2S
Molmasse: 230.59

Namen und Synonyme

220239-64-52,4,6-trifluorobenzenesulfonyl ChlorideDTXSID00380319RefChem:245779DTXCID40331345638-891-92,4,6-trifluorobenzene-1-sulfonyl chloride2,4,6-trifluorobenzenesulphonyl chlorideMFCD01091015SCHEMBL1500909XINCBNCLCIQIJM-UHFFFAOYSA-NSBB097646

Weitere Namen anzeigen

BUTTPARK 25\07-392,4,6-Trifluorophenylsulfonylchloride2,4,6-Trifluorobenzenesulfonylchloride,97%Benzenesulfonyl chloride, 2,4,6-trifluoro-2,4,6-Trifluorobenzenesulphonylchloride98%2,4,6-Trifluorophenylsulfonylchloride ,98%2,4,6-Trifluorobenzenesulphonyl chloride 98%Benzenesulfonyl chloride, 2,4,6-trifluoro- (9CI)

chloro(2,4,6-trifluorophenyl)sulfoneAKOS000150168AT11566PS-10810SY1733972,4,6-trifluorobenzene-1-sulfonylchlorideEN300-512422,4,6-Trifluorobenzenesulfonyl chloride, 97%

Datenbank-Bezeichner

CAS: 220239-64-5
PubChem CID: 2776983
DTXSID: DTXSID00380319
EC Number: 638-891-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 42,5 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 264

Physikochemische Eigenschaften

Siedepunkt: 222.1 · 222.1±35.0 °C(Predicted)
Dichte: 1.637 g/mL · 1.637 g/mL at 25 °C
Brechungsindex: 20 · n20/D1.508
Flammpunkt: 110 ℃ · >110℃
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
Farbe: Clear, colourless
InChI: 1S/C6H2ClF3O2S/c7-13(11,12)6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey: XINCBNCLCIQIJM-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(c(F)c1)S(Cl)(=O)=O

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 48 reports by companies from 4 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.