1,4-Bis(trifluormethyl)benzol

1,4-Bis(trifluoromethyl)benzene

HCID 67945CAS 433-19-2

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Grundinformationen

Standard-SMILES: FC(F)(F)c1ccc(C(F)(F)F)cc1
InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N
Summenformel: C8H4F6
Durchschnittliche Molmasse: 214,11 g/mol
Monoisotopische Masse: 214,02171945

Namen und Bezeichner

Bevorzugter Name: 1,4-Bis(trifluoromethyl)benzene
IUPAC: 1,4-bis(trifluoromethyl)benzene
Lokaler Name: 1,4-Bis(trifluormethyl)benzol
Englischer Name: 1,4-Bis(trifluoromethyl)-benzene
Summenformel: C8H4F6
Molmasse: 214.11

Namen und Synonyme

1,4-Bis(trifluoromethyl)benzene433-19-21,4-di(Trifluoromethyl)benzeneBenzene, 1,4-bis(trifluoromethyl)-Hexafluoro-p-xylenep-Bis(trifluoromethyl)benzene1,4-bis-trifluoromethylbenzenealpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xylene1,4-Bis(trifluoromethyl)-benzeneMFCD00000402NSC 61992A7C3RX7Y2R

Weitere Namen anzeigen

PTF-TFM-Trifluo1,4-Bis(trifLHEXAFLUOROPARAXYLENE1,4-Bis(trifluorometP-XYLENE HEXAFLUORIDEDutasteride Impurity 46paraditrifluoromethylbenzene

NSC-61992p-Xylene, alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-p-trifluoromethylbenzotrifluoridep-Xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexafluoro-Dutasteride impurity G1,4-Di(trifluoromethyl)benzene; NSC 61992PTF-TFM; p-Bis(trifluoromethyl)benzene; p-Trifluoromethylbenzotrifluoride; p-Xylene hexafluoride; alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-p-xyleneNSC61992EINECS 207-086-0

Datenbank-Bezeichner

CAS: 433-19-2
PubChem CID: 67945
DTXSID: DTXSID1059991
UNII: A7C3RX7Y2R
EC Number: 207-086-0
Nikkaji: J60.946C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

LogP3.83

Vapor Pressure18.5 [mmHg]

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: -1 °C · -1°C
Siedepunkt: 116 °C · 116 °C(lit.)
Dichte: 1.381 g/mL · 1.381 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.379(lit.)
Flammpunkt: 71 °F · 71 °F
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless
Wichte: 1.393 · 1.393 (20/4℃)
BRN: 1912445 · 1912445
InChI: InChI=1S/C8H4F6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey: PDCBZHHORLHNCZ-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)=CC=C(C(F)(F)F)C=C1
CAS Datenbank: 433 · 433-19-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,4-Bis(trifluoromethyl)benzene(433-19-2)
EPA chemische Informationen: 1 · 1,4-Bis(trifluoromethyl)benzene (433-19-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Chloro-4-(trifluoromethyl)benzene, 3,4-Dichlorobenzotrifluoride, and Benzotrifluoride.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)