3,4,5-Trifluorobenzyl bromide

HCID 2777062

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Grundinformationen

CAS: 220141-72-0
Standard-SMILES: Fc1cc(CBr)cc(F)c1F
InChIKey: MPEKZIYOLQCWLL-UHFFFAOYSA-N
Summenformel: C7H4BrF3
Durchschnittliche Molmasse: 225,01 g/mol
Monoisotopische Masse: 223,94485

Namen und Bezeichner

Bevorzugter Name: 3,4,5-Trifluorobenzyl bromide
IUPAC: 5-(bromomethyl)-1,2,3-trifluorobenzene
Englischer Name: 3,4,5-Trifluorobenzyl bromide
Summenformel: C7H4BrF3
Molmasse: 225.01

Namen und Synonyme

3,4,5-Trifluorobenzyl bromide220141-72-0DTXSID40380358RefChem:90915DTXCID80331384625-477-85-(Bromomethyl)-1,2,3-trifluorobenzeneMFCD00083528Benzene, 5-(bromomethyl)-1,2,3-trifluoro-SCHEMBL3910295-(bromomethyl)-1,2,3-trifluoro-benzene3,4,5-Trifluorobenzyl bromide, 95%

Weitere Namen anzeigen

-bromo-3,4,5-trifluorotoluene3,4,5-Trifluorobenzoyl bromideà-bromo-3,4,5-trifluorotolueneA-BROMO-3,4,5-TRIFLUOROTOLUENE3,4,5-Trifluorobenzylbromide98%3,4,5-Trifluorobenzyl bromide 98%ALPHA-BROMO-3,4,5-TRIFLUOROTOLUENE

T24643,4,5-trifluorobenzylbromideFT-0614143SBB096756AKOS005064099CS-W022253DS-1386AC-26206

Datenbank-Bezeichner

CAS: 220141-72-0
PubChem CID: 2777062
DTXSID: DTXSID40380358
EC Number: 625-477-8
Nikkaji: J2.894.822K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Siedepunkt: 44 · 44-46°C 1mm
Dichte: 1.689 g/mL · 1.689 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.5050(lit.)
Flammpunkt: 150 °F · 150 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Light yellow to Brown
BRN: 8680985 · 8680985
InChI: InChI=1S/C7H4BrF3/c8-3-4-1-5(9)7(11)6(10)2-4/h1-2H,3H2
InChIKey: MPEKZIYOLQCWLL-UHFFFAOYSA-N
SMILES: C1(F)=CC(CBr)=CC(F)=C1F
CAS Datenbank: 220141 · 220141-72-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory.；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.