5-Fluoro-2-(trifluoromethyl)benzoyl chloride

HCID 2737560

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Grundinformationen

CAS: 216144-70-6
Standard-SMILES: O=C(Cl)c1cc(F)ccc1C(F)(F)F
InChIKey: VHTVVTDYYXQDHS-UHFFFAOYSA-N
Summenformel: C8H3ClF4O
Durchschnittliche Molmasse: 226,55 g/mol
Monoisotopische Masse: 225,9808551

Namen und Bezeichner

Bevorzugter Name: 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
IUPAC: 5-fluoro-2-(trifluoromethyl)benzoyl chloride
Englischer Name: 5-Fluoro-2-(trifluoromethyl)benzoyl chloride
Summenformel: C8H3ClF4O
Molmasse: 226.56

Namen und Synonyme

5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6DTXSID30372141RefChem:303131DTXCID90323174624-327-9MFCD000835345-Fluoro-2-(trifluoromethyl)benzoylChlorideBenzoyl chloride, 5-fluoro-2-(trifluoromethyl)-5-fluoro-2-trifluoromethylbenzoyl chloride5-Fluoro-2-trifluoromethyl-benzoyl chlorideSCHEMBL936738

Weitere Namen anzeigen

SKL1246OTF-BOC-5Fà,à,à,5-tertafluoro-o-toluoyl chloride2-TRIFLUOROMETHYL-5-FLUOROBENZOYL CHLORIDE3-Fluoro-6-trifluoromethylbenzoyl chloride5-Fluoro-2-(trifluoromethyl)benzoylchloride97%5-Fluoro-2-(trifluoromethyl)benzoylChloride>Benzoyl chloride, 5-fluoro-2-(trifluoromethyl)-5-Fluoro-2-(trifluoromethyl)benzoyl chloride 97%

SCHEMBL29789772SBB067921AKOS015853220PS-107385-fluoro 2-trifluoromethyl benzoyl chlorideF0769F0079185-Fluoro-2-(trifluoromethyl)benzoyl chloride, 97%

Datenbank-Bezeichner

CAS: 216144-70-6
PubChem CID: 2737560
DTXSID: DTXSID30372141
EC Number: 624-327-9

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 228

Physikochemische Eigenschaften

Siedepunkt: 169 °C · 169 °C (lit.)
Dichte: 1.5 g/mL · 1.5 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.463(lit.)
Flammpunkt: 188 °F · 188 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: liquid
Wichte: 1.5 · 1.500
Farbe: Clear, colourless
InChI: 1S/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H
InChIKey: VHTVVTDYYXQDHS-UHFFFAOYSA-N
SMILES: Fc1ccc(c(c1)C(Cl)=O)C(F)(F)F
CAS Datenbank: 216144 · 216144-70-6(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 45 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.