2-Fluorbenzylalkohol

2-Fluorobenzylic alcohol

HCID 67969

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Grundinformationen

CAS: 446-51-5
Standard-SMILES: OCc1ccccc1F
InChIKey: QEHXDOJPVIHUDO-UHFFFAOYSA-N
Summenformel: C7H7FO
Durchschnittliche Molmasse: 126,13 g/mol
Monoisotopische Masse: 126,04809301

Namen und Bezeichner

Bevorzugter Name: 2-Fluorobenzylic alcohol
IUPAC: (2-fluorophenyl)methanol
Lokaler Name: 2-Fluorbenzylalkohol
Englischer Name: 2-Fluorobenzyl alcohol
Summenformel: C7H7FO
Molmasse: 126.13

Namen und Synonyme

Benzenemethanol, 2-fluoro-2-Fluorobenzylic alcoholEINECS 207-170-7DTXSID10196241NSC 158274RefChem:472619DTXCID20118732207-170-72-Fluorobenzyl alcohol446-51-5(2-Fluorophenyl)methanolo-Fluorobenzyl alcohol

Weitere Namen anzeigen

2-fluorobenzyl2-fluorobenzylolRARECHEM AL BD 00162-Fluorobenzyl alcoh(2-fFuorophenyl)methanol2-fluoro-benzenemethanol

2-FluorobenzenemethanolMFCD000046012-Fluorobenzylalcohol(2-fluorophenyl)methan-1-olNSC 158274; o-Fluorobenzyl Alcohol; 2-Fluorobenzenemethanol; (2-Fluorophenyl)methanol(2-fluoro-phenyl)-methanol(2-Fluorophenyl)methanol #SCHEMBL98874

Datenbank-Bezeichner

CAS: 446-51-5
PubChem CID: 67969
DTXSID: DTXSID10196241
EC Number: 207-170-7
Nikkaji: J53A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 85

Physikochemische Eigenschaften

Schmelzpunkt: 91 · 91-94 °C
Siedepunkt: 199 · 199-200 °C
Dichte: 1.173 g/mL · 1.173 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.514(lit.)
Flammpunkt: 195 °F · 195 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
pka: 13.88 · 13.88±0.10(Predicted)
Aggregatzustand: Liquid
Wichte: 1.173 · 1.173
Farbe: Clear colorless to slightly yellow
BRN: 2079486 · 2079486
InChI: 1S/C7H7FO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey: QEHXDOJPVIHUDO-UHFFFAOYSA-N
SMILES: OCc1ccccc1F
CAS Datenbank: 446 · 446-51-5(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Fluorobenzyl alcohol(446-51-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H227 (25%): Combustible liquid [Warning Flammable liquids]；H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, 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, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 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.