1,3,5-Trifluorbenzol

1,3,5-Trifluorobenzene

HCID 9745CAS 372-38-3

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Grundinformationen

Standard-SMILES: Fc1cc(F)cc(F)c1
InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N
Summenformel: C6H3F3
Durchschnittliche Molmasse: 132,08 g/mol
Monoisotopische Masse: 132,01868476

Namen und Bezeichner

Bevorzugter Name: 1,3,5-Trifluorobenzene
IUPAC: 1,3,5-trifluorobenzene
Lokaler Name: 1,3,5-Trifluorbenzol
Englischer Name: 1,3,5-Trifluorobenzene
Summenformel: C6H3F3
Molmasse: 132.08

Namen und Synonyme

1,3,5-TRIFLUOROBENZENE372-38-3sym-TrifluorobenzeneBN94C411F8NSC-10264DTXSID90190686RefChem:72337DTXCID30113177206-751-2Benzene, 1,3,5-trifluoro-MFCD00000333UNII-BN94C411F8

Weitere Namen anzeigen

1,3,5-Trifluorobenze1,3,5-TrifLTrifluorobenzene31,3,5-TRIFLUOTOBENZENE1,3,5-Trifluorobenzene 98%1,3,5-trifluorobenzoic acid

1,3,5-TRIFLUORO BENZENEEINECS 206-751-21,3,5-trifluorbenzol1,3,5-tri-fluorobenzene1,3,5-Trifluorobenzene #SCHEMBL57470SCHEMBL449836SCHEMBL5167497

Datenbank-Bezeichner

CAS: 372-38-3
PubChem CID: 9745
DTXSID: DTXSID90190686
UNII: BN94C411F8
EC Number: 206-751-2
Nikkaji: J95.390C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 63,3

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Monoaromatics

SpringerMaterials PropertiesSchoenflies notation

Vapor Pressure104.0 [mmHg]

Physical DescriptionColorless liquid; [MSDSonline]

Physikochemische Eigenschaften

Schmelzpunkt: -5.5 °C · -5.5 °C (lit.)
Siedepunkt: 75 · 75-76 °C (lit.)
Dichte: 1.277 g/mL · 1.277 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.414(lit.)
Flammpunkt: 19 °F · 19 °F
storage temp.: Flammables area
Aggregatzustand: clear liquid
Wichte: 1.277 · 1.277
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: Insoluble in water.
BRN: 1906457 · 1906457
InChI: InChI=1S/C6H3F3/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N
SMILES: C1(F)=CC(F)=CC(F)=C1
CAS Datenbank: 372 · 372-38-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1,3,5-Trifluorobenzene(372-38-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazards SummaryAn irritant; [MSDSonline]

Hazard Classes and CategoriesFlam. Liq. 2 (97.9%)

Sicherheitsdaten

wgk: 2
ridadr: UN 1993 3/PG 2
hs_code: 29039990
risk_code: 11-36/37/38
hazard_code: F,Xi
hazard_note: Flammable
safety_code: 16-26-36-7-33-29-7/9
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1,3,5-Trifluorobenzene was used in the synthesis of (-)-epicatechin and its 3-O-gallate. It is also used as an intermediate in organic chemical synthesis.