4-Chloro-3-(trifluoromethyl)benzyl alcohol

HCID 2778111

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Grundinformationen

CAS: 65735-71-9
Standard-SMILES: OCc1ccc(Cl)c(C(F)(F)F)c1
InChIKey: JRYCPYROZOWIDJ-UHFFFAOYSA-N
Summenformel: C8H6ClF3O
Durchschnittliche Molmasse: 210,58 g/mol
Monoisotopische Masse: 210,005927

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-3-(trifluoromethyl)benzyl alcohol
IUPAC: [4-chloro-3-(trifluoromethyl)phenyl]methanol
Englischer Name: 4-Chloro-3-(trifluoromethyl)benzyl alcohol
Summenformel: C8H6ClF3O
Molmasse: 210.58

Namen und Synonyme

65735-71-94-Chloro-3-(trifluoromethyl)benzyl alcoholDTXSID40380777RefChem:291623DTXCID60331802(4-Chloro-3-(trifluoromethyl)phenyl)methanol[4-chloro-3-(trifluoromethyl)phenyl]methanolMFCD016315384-Chloro-3-trifluoromethylbenzyl alcohol(4-chloro-3-trifluoromethyl-phenyl)-methanol[4-chloro-3-(trifluoromethyl)phenyl]methan-1-olBenzenemethanol, 4-chloro-3-(trifluoromethyl)-

Weitere Namen anzeigen

RARECHEM AL BD 02862-Chloro-5-(hydroxymethyl)benzotrifluoride4-Chloro-3-(trifluoromethyl)benzyl alcohol, 97+%

SCHEMBL932893SCHEMBL16952200SCHEMBL29556319CL8726SBB094393AKOS015849959AC-4169CS-W015096

Datenbank-Bezeichner

CAS: 65735-71-9
PubChem CID: 2778111
DTXSID: DTXSID40380777
EC Number: 670-759-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-46°C
Siedepunkt: 236 ℃ · 236℃
Dichte: 1.416 · 1.416
Flammpunkt: 97 ℃ · 97℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: fused solid
pka: 13.78 · 13.78±0.10(Predicted)
Farbe: Off-white
CAS Datenbank: 65735 · 65735-71-9(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 (100%): 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 5 reports by companies from 2 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.