1-(Brommethyl)-2-(trifluormethyl)benzol

1-(Bromomethyl)-2-(trifluoromethyl)benzene

HCID 123057CAS 395-44-8

Grundinformationen

Standard-SMILES
FC(F)(F)c1ccccc1CBr
InChIKey
TXVVVEUSVBLDED-UHFFFAOYSA-N
Summenformel
C8H6BrF3
Durchschnittliche Molmasse
239,03 g/mol
Monoisotopische Masse
237,96049695

Namen und Bezeichner

Bevorzugter Name
1-(Bromomethyl)-2-(trifluoromethyl)benzene
IUPAC
1-(bromomethyl)-2-(trifluoromethyl)benzene
Lokaler Name
1-(Brommethyl)-2-(trifluormethyl)benzol
Englischer Name
2-(Trifluoromethyl)benzyl bromide
Summenformel
C8H6BrF3
Molmasse
239.03

Namen und Synonyme

395-44-81-(Bromomethyl)-2-(trifluoromethyl)benzene2-Trifluoromethylbenzyl bromideEINECS 206-901-7DTXSID70192643RefChem:427219DTXCID10115134206-901-72-(Trifluoromethyl)benzyl bromide2-(trifluoromethyl)benzylbromideo-Trifluoromethylbenzyl bromideMFCD00013558
Weitere Namen anzeigen
TIMTEC-BB SBB006692TrifluoroMethyl)benzyl broMia'-Bromo-a,a,a-trifluoro-o-xyleneO-(TRIFLUOROMETHYL)BENZYL BROMIDEà'-bromo-à,à,à-trifluoro-o-xyleneα′-Bromo-α,α,α-trifluoro-o-xylene2-(Trifluoromethyl)benzylbromide98%
Benzene, 1-(bromomethyl)-2-(trifluoromethyl)-2-(bromomethyl)-1-(trifluoromethyl)benzeneSCHEMBL45272-trifluoromethylbenzylbromide2-trifluoromethyl-benzylbromide2-(Bromomethyl)benzotrifluoride2-trifluoromethyl benzyl bromide2-trifluoromethyl-benzyl bromide

Datenbank-Bezeichner

CAS
395-44-8
PubChem CID
123057
DTXSID
DTXSID70192643
EC Number
206-901-7
Nikkaji
J213.634A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,4
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
12

Physikochemische Eigenschaften

Schmelzpunkt
34 · 34-35 °C
Siedepunkt
72 °C · 72 °C (7.5 mmHg)
Dichte
1.571 g/mL · 1.571 g/mL at 25 °C(lit.)
Brechungsindex
1.496 · 1.496-1.499
Flammpunkt
83 °C · 83 °C
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk
3
ridadr
1760
hs_code
29039990
risk_code
34
hazard_code
C,Xi
hazard_note
Corrosive/Lachrymatory

Chemie und Industrie

Anwendungen

Verwenden2-(Trifluoromethyl)benzyl bromide may be used in chemical synthesis.

Darstellung · 1 Eintrag

synthetischeA solution of 30 ml of phosphorus tribromide in 60 ml of absolute toluene was added dropwise at 20°-30° C. to a solution of 14 g of o-trifluoromethylbenzyl alcohol in 80 ml of absolute toluene. Subsequently, the reaction mixture was stirred at room temperature for 2 hours, the toluene was distilled under reduced pressure, the residue was dissolved in methylene chloride, treated with water and the mixture was adjusted to pH 8.0 with potassium hydrogen carbonate. The aqueous phase was extracted three times with CH2Cl2 and the organic phases were washed twice with water and once with saturated NaCl solution, dried over Na2 SO4 and evaporated under reduced pressure. 2-(Trifluoromethyl)benzyl bromide was obtained as the residue.

Anbieter50 Anbieter

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