o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-

HCID 142784

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Grundinformationen

CAS: 50824-04-9
Standard-SMILES: Oc1ccc(Br)cc1C(F)(F)F
InChIKey: PDPGERGWEOJVDC-UHFFFAOYSA-N
Summenformel: C7H4BrF3O
Durchschnittliche Molmasse: 241 g/mol
Monoisotopische Masse: 239,93976

Namen und Bezeichner

Bevorzugter Name: o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-
IUPAC: 4-bromo-2-(trifluoromethyl)phenol
Englischer Name: 4-Bromo-2-(trifluoromethyl)phenol
Summenformel: C7H4BrF3O
Molmasse: 241.01

Namen und Synonyme

4-Bromo-2-(trifluoromethyl)phenol50824-04-9o-Cresol, 4-bromo-alpha,alpha,alpha-trifluoro-DTXSID40198854RefChem:855227DTXCID00121345642-593-44-Bromo-2-trifluoromethylphenolMFCD056689815-Bromo-2-hydroxybenzotrifluoride4-Bromo-2-(trifluoromethyl);phenol4-bromo-2-(trifluoromethyl)benzenol

Weitere Namen anzeigen

4-BroMo-2-(trifluoroMethyl)phenol44-Beromo-2-(trifluoromethyl)benzenol4-Bromo-2-(trifluoromethyl)phenol >5-Bromo-2-hydroxybenzotrifluoride 99%4-broMo -2-three fluorineMethyl phenol4-Bromo-2-(trifluoromethyl)phenol, 4-Bromo-alpha,alpha,alpha-trifluoro-o-cresol

Phenol, 4-bromo-2-(trifluoromethyl)-SCHEMBL414645SCHEMBL15986257SCHEMBL163451864-bromo-2-trifluoromethyl-phenol4-bromo-2-(trifluoro-methyl)phenol4-bromo-2-(trifluoromethyl) phenol4-bromo-2-(trifluoromethyl)-phenol

Datenbank-Bezeichner

CAS: 50824-04-9
PubChem CID: 142784
DTXSID: DTXSID40198854
EC Number: 642-593-4
Nikkaji: J1.221.557F

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: 83 · 83-85°
Siedepunkt: 203.4 · 203.4±35.0 °C(Predicted)
Dichte: 1.752 · 1.752±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 7.41 · 7.41±0.43(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: White
InChI: InChI=1S/C7H4BrF3O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChIKey: PDPGERGWEOJVDC-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C=C1C(F)(F)F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (88.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (88.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (77.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 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.