2-Fluoro-6-methoxyphenol

HCID 2737367CAS 73943-41-6

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Grundinformationen

Standard-SMILES: COc1cccc(F)c1O
InChIKey: YZNHPLVFLRSVHY-UHFFFAOYSA-N
Summenformel: C7H7FO2
Durchschnittliche Molmasse: 142,13 g/mol
Monoisotopische Masse: 142,04300762

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-6-methoxyphenol
IUPAC: 2-fluoro-6-methoxyphenol
Englischer Name: 2-FLUORO-6-METHOXYPHENOL
Summenformel: C7H7FO2
Molmasse: 142.13

Namen und Synonyme

2-Fluoro-6-methoxyphenol73943-41-6DTXSID20372019RefChem:261038DTXCID30323052624-633-2MFCD000751403-FLUORO-2-HYDROXYANISOLE2-fluoro-6-methoxy phenol2-Fluoro-6-methoxy-phenolSCHEMBL1785502-Fluoro-6-methoxyphenol, 97%

Weitere Namen anzeigen

2-Methoxy-6-fluorophenol2-Hydroxy-3-fluoroanisole2-Fluoro-6-methoxyphenol98%2-Fluoro-6-methoxyphenol 98%

AS05493AM806813SY109532Z850124378Phenol, 2-fluoro-6-methoxy-2-Fluoro-6-methoxyphen2-methoxyl-6-fluorophenolA19924

Datenbank-Bezeichner

CAS: 73943-41-6
PubChem CID: 2737367
DTXSID: DTXSID20372019
EC Number: 624-633-2
Nikkaji: J790.415K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,3
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 108

Physikochemische Eigenschaften

Siedepunkt: 130 · 130-131 °C36 mm Hg(lit.)
Dichte: 1.23 g/mL · 1.23 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.52(lit.)
Flammpunkt: 218 °F · 218 °F
storage temp.: Inert atmosphere,Room Temperature
pka: 8.71 · 8.71±0.10(Predicted)
Aggregatzustand: Liquid
Farbe: Clear colorless to light brown
Wichte: 1.23 · 1.230
InChI: InChI=1S/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
InChIKey: YZNHPLVFLRSVHY-UHFFFAOYSA-N
SMILES: C1(O)=C(OC)C=CC=C1F
CAS Datenbank: 73943 · 73943-41-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (11.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (88.9%): 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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.