4-Fluorbenzylalkohol

4-Fluorobenzylic alcohol

HCID 68022CAS 459-56-3

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Grundinformationen

Standard-SMILES: OCc1ccc(F)cc1
InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N
Summenformel: C7H7FO
Durchschnittliche Molmasse: 126,13 g/mol
Monoisotopische Masse: 126,04809301

Namen und Bezeichner

Bevorzugter Name: 4-Fluorobenzylic alcohol
IUPAC: (4-fluorophenyl)methanol
Lokaler Name: 4-Fluorbenzylalkohol
Englischer Name: 4-Fluorobenzyl alcohol
Summenformel: C7H7FO
Molmasse: 126.13

Namen und Synonyme

p-Fluorobenzyl alcohol4-Fluorobenzylic alcoholCCRIS 5115EINECS 207-292-0NSC 63347RefChem:523405207-292-04-Fluorobenzyl alcohol459-56-3(4-Fluorophenyl)methanolBenzenemethanol, 4-fluoro-MFCD00004651

Weitere Namen anzeigen

RARECHEM AL BD 00764-Fluorobenzyl Alco4-Fluorobenzyl alcoh4-FluorobenzylacloholLABOTEST-BB LT02003779p-FluorophenylMethanol

4-fluoro benzyl alcohol(4-fluoro-phenyl)-methanolNSC-633474-fluorobenzylalcohol(4-fluorophenyl)methan-1-ol4-fluorobenzoic alcohol4-fluoro-benzylalcohol(4-Fluorophenyl)methanol #

Datenbank-Bezeichner

CAS: 459-56-3
PubChem CID: 68022
DTXSID: DTXSID4075409
UNII: 5KB3N2WUR9
EC Number: 207-292-0
Nikkaji: J62K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 77

Physikochemische Eigenschaften

Schmelzpunkt: 23 °C · 23°C
Siedepunkt: 204 · 204-206 °C
Dichte: 1.156 g/mL · 1.156 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.507(lit.)
Flammpunkt: 194 °F · 194 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 14.29 · 14.29±0.10(Predicted)
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Light yellow
Wichte: 1.156 · 1.156
Wasserlöslichkeit: Slightly soluble in water.
BRN: 1446930 · 1446930
InChI: 1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey: GEZMEIHVFSWOCA-UHFFFAOYSA-N
SMILES: OCc1ccc(F)cc1
CAS Datenbank: 459 · 459-56-3(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Fluorobenzyl alcohol(459-56-3)
EPA chemische Informationen: 4 · Benzenemethanol, 4-fluoro- (459-56-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 16.7% (1 of 6) of reports.

Warning

H315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (83.3%): 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 6 reports by companies.；There are 4 notifications provided by 5 of 6 reports by companies with hazard statement code(s).；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.