1-Bromo-2,4,6-trifluorobenzene

HCID 75398

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Grundinformationen

CAS: 2367-76-2
Standard-SMILES: Fc1cc(F)c(Br)c(F)c1
InChIKey: PZBSPSOGEVCRQI-UHFFFAOYSA-N
Summenformel: C6H2BrF3
Durchschnittliche Molmasse: 210,98 g/mol
Monoisotopische Masse: 209,9292

Namen und Bezeichner

Bevorzugter Name: 1-Bromo-2,4,6-trifluorobenzene
IUPAC: 2-bromo-1,3,5-trifluorobenzene
Englischer Name: 1-Bromo-2,4,6-trifluorobenzene
Summenformel: C6H2BrF3
Molmasse: 210.98

Namen und Synonyme

1-Bromo-2,4,6-trifluorobenzene2367-76-22-Bromo-1,3,5-trifluorobenzene2,4,6-TrifluorobromobenzeneBenzene, 2-bromo-1,3,5-trifluoro-EINECS 219-125-9SG6QA77T6RDTXSID80178337RefChem:430178DTXCID10100828219-125-92-bromo-1,3,5-trifluoro-benzene

Weitere Namen anzeigen

1-Bromo-2,4,6-trifL1-Bromo-2,4,6-triflu2,4,6-Trifluorophenyl bromide1-Bromo-2,4,6-trifluorobezene1,3,5-Trifluoro-2-bromobenzene2,4,6-Trifluoro-1-bromobenzene

MFCD000003342,4,6-Trilfuorobromobenzene2,4,6-TrifluorovbromobenzeneUNII-SG6QA77T6RSCHEMBL9196652,4,6-tri-fluorobromobenzene2,4,6-trifluoro-bromobenzene1-bromo-2,4,6-triflurobenzene

Datenbank-Bezeichner

CAS: 2367-76-2
PubChem CID: 75398
DTXSID: DTXSID80178337
UNII: SG6QA77T6R
EC Number: 219-125-9
Nikkaji: J208.104K

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: 108

Physikochemische Eigenschaften

Schmelzpunkt: 3.5 °C · 3.5 °C (lit.)
Siedepunkt: 140.5 °C · 140.5 °C (lit.)
Dichte: 1.79 g/mL · 1.79 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.485(lit.)
Flammpunkt: 137 °F · 137 °F
storage temp.: 2 · Sealed in dry,2-8°C
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Oil
Farbe: Clear Colourless to Light Yellow
Wichte: 1.8 · 1.80
BRN: 2502668 · 2502668
InChI: 1S/C6H2BrF3/c7-6-4(9)1-3(8)2-5(6)10/h1-2H
InChIKey: PZBSPSOGEVCRQI-UHFFFAOYSA-N
SMILES: Fc1cc(F)c(Br)c(F)c1
CAS Datenbank: 2367 · 2367-76-2(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Bromo-2,4,6-trifluorobenzene(2367-76-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.