1-Brom-2,4,5-trifluorbenzol

1-Bromo-2,4,5-trifluorobenzene

HCID 67597CAS 327-52-6

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Grundinformationen

Standard-SMILES: Fc1cc(F)c(Br)cc1F
InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N
Summenformel: C6H2BrF3
Durchschnittliche Molmasse: 210,98 g/mol
Monoisotopische Masse: 209,92919682

Überblick

1-Bromo-2,4,5-trifluorobenzene is an organofluorine compound.

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2,4,5-trifluorobenzene
IUPAC: 1-bromo-2,4,5-trifluorobenzene
Lokaler Name: 1-Brom-2,4,5-trifluorbenzol
Englischer Name: 1-Bromo-2,4,5-trifluorobenzene
Summenformel: C6H2BrF3
Molmasse: 210.98

Namen und Synonyme

1-Bromo-2,4,5-trifluorobenzene327-52-65848WZ4MBLDTXSID30186366RefChem:1055022DTXCID40108857206-318-82,4,5-trifluorobromobenzeneBenzene, 1-bromo-2,4,5-trifluoro-MFCD000003065-bromo-1,2,4-trifluorobenzene2-Bromo-1,4,5-trifluorobenzene

Weitere Namen anzeigen

2,4,5 bromobenzene1-Bromo-2,4,5-trifL1-Bromo-2,4,5-triflu2,4,5-TRIFLUOROBENZOBROMIDE2,4,5-Trifluorophenyl bromide1,2,4-Trifluoro-5-bromobenzene

1-Bromo-2,4,5-trifluoro-benzeneEINECS 206-318-8UNII-5848WZ4MBLSCHEMBL270218SCHEMBL3454902,4,5-Trifluoro bromo benzeneSCHEMBL293652131-bromo-2,4,5-triluorobenzene

Datenbank-Bezeichner

CAS: 327-52-6
PubChem CID: 67597
DTXSID: DTXSID30186366
ChEBI: CHEBI:189196
UNII: 5848WZ4MBL
EC Number: 206-318-8
Nikkaji: J193.747B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 120

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: 19 °C · −19 °C(lit.)
Siedepunkt: 144 °C · 144 °C(lit.)
Dichte: 1.802 g/mL · 1.802 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.485(lit.)
Flammpunkt: 132 °F · 132 °F
storage temp.: 2 · 2-8°C
Löslichkeit: water: insoluble
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow to Light orange
Wichte: 1.81 · 1.81
Wasserlöslichkeit: insoluble
BRN: 1636588 · 1636588
InChI: InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N
SMILES: C1(Br)=CC(F)=C(F)C=C1F
CAS Datenbank: 327 · 327-52-6(CAS DataBase Reference)
NIST chemische Informationen: 1 · Benzene, 1-bromo-2,4,5-trifluoro-(327-52-6)

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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29039990
risk_code: 36/37/38-10
hazard_code: Xi,F
hazard_note: Flammable
safety_code: 26-36/37/39-37/39-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-Bromo-2,4,5-trifluorobenzene is the intermediate of liquid crystals. The derivatives of this compound can be used as intermediates for the synthesis of qunolone antibacterial. It is employed in the synthesis of 3-ethenyl, 3-ethynyl, 3-aryl, and 3-cyclopropyl-2, 4, 5-trifluorobenzoic acids from 1-bromo-2, 4, 5-trifluorobenzene and 2, 4, 5-trifluoro-3-hydroxybenzoic acid.