2,2,2-Trifluoracetophenon

2,2,2-Trifluoroacetophenone

HCID 9905CAS 434-45-7

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Grundinformationen

Standard-SMILES: O=C(c1ccccc1)C(F)(F)F
InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N
Summenformel: C8H5F3O
Durchschnittliche Molmasse: 174,12 g/mol
Monoisotopische Masse: 174,02924944

Überblick

converted to trifluoroacetic acid in water

Namen und Bezeichner

Bevorzugter Name: 2,2,2-Trifluoroacetophenone
IUPAC: 2,2,2-trifluoro-1-phenylethanone
Lokaler Name: 2,2,2-Trifluoracetophenon
Englischer Name: Trifluoroacetophenone
Summenformel: C8H5F3O
Molmasse: 174.12

Namen und Synonyme

2,2,2-TRIFLUOROACETOPHENONE434-45-72,2,2-Trifluoro-1-phenylethanoneTrifluoromethyl phenyl ketonealpha,alpha,alpha-TrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-phenyl-Phenyl trifluoromethyl ketone1,1,1-Trifluoroacetophenone(Trifluoroacetyl)benzeneAcetophenone, 2,2,2-trifluoro-NSC 427526T7L1UPY09

Weitere Namen anzeigen

2,2,2-TRIFLUORO-1-PHENYLETHAN-1-ONEA,A,A-TRIFLUOROACETOPHENONETRIFLUOROACETOPHENONETRIFLUOROACETYLBENZENE2,2,2-Trifluoracetophenon

phenyltrifluoromethylketoneEINECS 207-103-1NSC-42752DTXSID6059992.alpha.,.alpha.,.alpha.-Trifluoroacetophenone.omega.,.omega.,.omega.-Trifluoroacetophenone2,2,2-TRIFLUORO-1-PHENYL-1-ETHANONEomega,omega,omega-Trifluoroacetophenone

Datenbank-Bezeichner

CAS: 434-45-7
PubChem CID: 9905
DTXSID: DTXSID6059992
ChEMBL: CHEMBL293277
UNII: 6T7L1UPY09
EC Number: 207-103-1
Nikkaji: J150.547E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 168

Experimentelle und physikochemische Eigenschaften

Chemical ClassesToxic Gases & Vapors -> Tear Gas Agents

SpringerMaterials PropertiesBoiling point

LogP2.15

Vapor Pressure1.22 [mmHg]

Physical DescriptionColorless liquid; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -40 °C · -40 °C
Siedepunkt: 165 · 165-166 °C (lit.) 46-48 °C/14 mmHg (lit.)
Dichte: 1.24 g/mL · 1.24 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.458(lit.)
Flammpunkt: 107 °F · 107 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Liquid
Wichte: 1.24 · 1.240
Farbe: Clear colorless to yellow
Wasserlöslichkeit: PRACTICALLY INSOLUBLE
BRN: 1866286 · 1866286
InChI: 1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N
SMILES: FC(F)(F)C(=O)c1ccccc1
CAS Datenbank: 434 · 434-45-7(CAS DataBase Reference)
NIST chemische Informationen: 2 · Ethanone, 2,2,2-trifluoro-1-phenyl-(434-45-7)
EPA chemische Informationen: 2 · Ethanone, 2,2,2-trifluoro-1-phenyl- (434-45-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.