4-(Difluoromethoxy)benzyl alcohol

HCID 2736996CAS 170924-50-2

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Grundinformationen

Standard-SMILES: OCc1ccc(OC(F)F)cc1
InChIKey: HSIDWXYUJAUALR-UHFFFAOYSA-N
Summenformel: C8H8F2O2
Durchschnittliche Molmasse: 174,14 g/mol
Monoisotopische Masse: 174,04923582

Namen und Bezeichner

Bevorzugter Name: 4-(Difluoromethoxy)benzyl alcohol
IUPAC: [4-(difluoromethoxy)phenyl]methanol
Englischer Name: 4-(Difluoromethoxy)benzyl alcohol
Summenformel: C8H8F2O2
Molmasse: 174.14

Namen und Synonyme

4-(Difluoromethoxy)benzyl alcohol170924-50-2DTXSID70371754RefChem:288839DTXCID30322787671-870-2[4-(difluoromethoxy)phenyl]methanol(4-(Difluoromethoxy)phenyl)methanol659-33-6Benzene, 1-(difluoromethoxy)-4-methoxy-MFCD002362284-difluoromethoxybenzyl alcohol

Weitere Namen anzeigen

RARECHEM AL BD 02794-(Difluoromethoxy)benzylalcohol98%4-(Difluoromethoxy)benzyl alcohol 98%

[4-(difluoromethoxy)phenyl]methan-1-olBenzenemethanol, 4-(difluoromethoxy)-4-difluorometho4-(Difluoromethoxy) Benzyl AlcoholSCHEMBL1780636SCHEMBL3282513YQF0974PJIYFBQQLZCVAC-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 170924-50-2
PubChem CID: 2736996
DTXSID: DTXSID70371754
EC Number: 671-870-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 122

Physikochemische Eigenschaften

Siedepunkt: 78 · 78-80/0.2mm
Dichte: 1.257 · 1.257±0.06 g/cm3 (20 ºC 760 Torr)
Flammpunkt: 119.1 · 119.1±22.5℃
Brechungsindex: 1.4855 · 1.4855
storage temp.: Sealed in dry,Room Temperature
pka: 14.17 · 14.17±0.10(Predicted)

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 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.