4-Bromo-3-(trifluoromethyl)phenol

HCID 22277307CAS 320-49-0

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Grundinformationen

Standard-SMILES: Oc1ccc(Br)c(C(F)(F)F)c1
InChIKey: VOWPIDJSINRFPZ-UHFFFAOYSA-N
Summenformel: C7H4BrF3O
Durchschnittliche Molmasse: 241 g/mol
Monoisotopische Masse: 239,93976

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-3-(trifluoromethyl)phenol
IUPAC: 4-bromo-3-(trifluoromethyl)phenol
Englischer Name: 4-Bromo-3-(trifluoromethyl)phenol
Summenformel: C7H4BrF3O
Molmasse: 241.01

Namen und Synonyme

4-bromo-3-(trifluoromethyl)phenol320-49-0DTXSID00624200RefChem:290826DTXCID60574954695-965-32-bromo-5-hydroxybenzotrifluorideMFCD030953424-Bromo-3-trifluoromethylphenol3-Trifluoromethyl-4-bromophenolPhenol, 4-bromo-3-(trifluoromethyl)-BTFP

Weitere Namen anzeigen

4-bromo-3-trifluromethylphenol3-TRIFLUOROMETHYL-4-BROMO PHENOLPhenol,4-bromo-3-(trifluoromethyl)-4-BROMO-3-TRIFLUOROMETHYLPHENOL 98%2-Bromo-5-hydroxybenzotrifluoride99%2-Bromo-5-hydroxybenzotrifluoride 99%4-Bromo-3-(trifluoromethyl)phenol >4-Bromo-3-(trifluoromethyl)phenol,98%

SCHEMBL177740SCHEMBL2094452SCHEMBL295096724-bromo-3-trifluoromethyl-phenolCL8501SBB099360AKOS005256293AC-4118

Datenbank-Bezeichner

CAS: 320-49-0
PubChem CID: 22277307
DTXSID: DTXSID00624200
EC Number: 695-965-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,1
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-46°C
Siedepunkt: 61 · 61-63 °C(Press: 3.5-4.0 Torr)
Dichte: 1.752 · 1.752±0.06 g/cm3(Predicted)
Flammpunkt: 110 ° · >110°(230°F)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
pka: 8.39 · 8.39±0.18(Predicted)
Aggregatzustand: Solid
Farbe: Yellow
InChI: InChI=1S/C7H4BrF3O/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3,12H
InChIKey: VOWPIDJSINRFPZ-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C(C(F)(F)F)=C1
CAS Datenbank: 320 · 320-49-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (96.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 31 reports by companies from 4 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.