1-[4-(Trifluoromethyl)phenyl]ethan-1-ol

HCID 137186CAS 1737-26-4

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Grundinformationen

Standard-SMILES: CC(O)c1ccc(C(F)(F)F)cc1
InChIKey: YMXIDIAEXNLCFT-UHFFFAOYSA-N
Summenformel: C9H9F3O
Durchschnittliche Molmasse: 190,16 g/mol
Monoisotopische Masse: 190,06054939

Namen und Bezeichner

Bevorzugter Name: 1-[4-(Trifluoromethyl)phenyl]ethan-1-ol
IUPAC: 1-[4-(trifluoromethyl)phenyl]ethanol
Englischer Name: 1-[4-(TRIFLUOROMETHYL)PHENYL]ETHANOL
Summenformel: C9H9F3O
Molmasse: 190.16

Namen und Synonyme

1-[4-(trifluoromethyl)phenyl]ethan-1-ol1-(4-(trifluoromethyl)phenyl)ethan-1-olDTXSID30938423RefChem:428931DTXCID90896914642-857-91-[4-(Trifluoromethyl)phenyl]ethanol1737-26-41-(4-(Trifluoromethyl)phenyl)ethanolMFCD00039618A-Methyl-4-trifluoromethylbenzyl alcoholSCHEMBL342466

Weitere Namen anzeigen

1-(4-trifluorophenyl)ethanol1-[4-(Trifluoromethyl)phenyl]thanol-Methyl-4-trifluoromethylbenzylalcoholα-Methyl-4-trifluoromethylbenzylalcohol1-4-(Trifluoromethyl)phenylüethanol, 97%à-methyl-4-(trifluoromethyl)benzyl alcohol4-(Trifluoromethyl)-α-methylbenzyl alcohol

1-(4-trifluoromethylphenyl)-ethanolBenzenemethanol, alpha-methyl-4-(trifluoromethyl)-1-(4-trifluoromethyl-phenyl)-ethanolAKOS000249264alpha-Methyl-4-(trifluoromethyl)benzyl alcohol1-[4-(triSCHEMBL1046560SCHEMBL4289073

Datenbank-Bezeichner

CAS: 1737-26-4
PubChem CID: 137186
DTXSID: DTXSID30938423
EC Number: 642-857-9
Nikkaji: J410.604K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 159

Physikochemische Eigenschaften

Siedepunkt: 106 · 106-107 °C8 mm Hg(lit.)
Dichte: 1.237 g/mL · 1.237 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.458(lit.)
Flammpunkt: 209 °F · 209 °F
storage temp.: Sealed in dry,Room Temperature
pka: 13.98 · 13.98±0.20(Predicted)
Wichte: 1.2371 · 1.2371.249
BRN: 2257808 · 2257808
InChI: InChI=1S/C9H9F3O/c1-6(13)7-2-4-8(5-3-7)9(10,11)12/h2-6,13H,1H3
InChIKey: YMXIDIAEXNLCFT-UHFFFAOYSA-N
SMILES: C1(C(F)(F)F)C=CC(C(O)C)=CC=1
CAS Datenbank: 1737 · 1737-26-4(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 (25%): 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 8 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.