2-(Trifluoromethoxy)benzyl bromide

HCID 2777254CAS 198649-68-2

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Grundinformationen

Standard-SMILES: FC(F)(F)Oc1ccccc1CBr
InChIKey: TUNSVUOTVLWNQT-UHFFFAOYSA-N
Summenformel: C8H6BrF3O
Durchschnittliche Molmasse: 255,03 g/mol
Monoisotopische Masse: 253,95541

Namen und Bezeichner

Bevorzugter Name: 2-(Trifluoromethoxy)benzyl bromide
IUPAC: 1-(bromomethyl)-2-(trifluoromethoxy)benzene
Englischer Name: 2-(Trifluoromethoxy)benzyl bromide
Summenformel: C8H6BrF3O
Molmasse: 255.03

Namen und Synonyme

2-(Trifluoromethoxy)benzyl bromide198649-68-2DTXSID80380438RefChem:462475DTXCID20331464642-461-61-(bromomethyl)-2-(trifluoromethoxy)benzeneBenzene, 1-(bromomethyl)-2-(trifluoromethoxy)-MFCD00236321[2-(bromomethyl)phenoxy]trifluoromethanealpha-Bromo-2-(trifluoromethoxy)tolueneSCHEMBL121522

Weitere Namen anzeigen

CAS:198649-68-22-(Trifluoromethoxy)benzylà-bromo-2-(trifluoromethoxy)tolueneα-Bromo-2-(trifluoromethoxy)toluene2-(Trifluoromethoxy)benzyl bromide 97%1-(Bromomethyl)-2-(trifluoromethoxy)benzene, 2-(Bromomethyl)phenyl trifluoromethyl ether

2-trifluoromethoxybenzyl bromideSCHEMBL29427096TUNSVUOTVLWNQT-UHFFFAOYSA-2-(trifluromethoxy)benzyl bromideSBB101526AKOS007930186AC-7451FT37272

Datenbank-Bezeichner

CAS: 198649-68-2
PubChem CID: 2777254
DTXSID: DTXSID80380438
EC Number: 642-461-6
Nikkaji: J2.646.674A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 13
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 191.7 · 191.7±35.0 °C(Predicted)
Dichte: 1 · 1,583 g/cm3
Brechungsindex: 1.4812 · 1.4812
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Light orange to Yellow to Green
CAS Datenbank: 198649 · 198649-68-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H290 (16.7%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (16.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (16.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P337+P317, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 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.