CAS 850793-25-8 3-Fluoro-5-methoxyphenol (HCID 52180821)

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Grundinformationen

CAS: 850793-25-8
Standard-SMILES: COc1cc(O)cc(F)c1
InChIKey: CHSGINYGAPVVLG-UHFFFAOYSA-N
Summenformel: C7H7FO2
Durchschnittliche Molmasse: 142,13 g/mol
Monoisotopische Masse: 142,04300762

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-5-methoxyphenol
IUPAC: 3-fluoro-5-methoxyphenol
Englischer Name: 3-FLUORO-5-METHOXY-PHENOL
Summenformel: C7H7FO2
Molmasse: 142.13

Namen und Synonyme

3-Fluoro-5-methoxyphenol850793-25-8DTXSID30680258RefChem:279481DTXCID70631007810-108-73-Fluoro-5-methoxy-phenolMFCD118487823 -fluoro-5-methoxyphenolSCHEMBL522123CL8490AKOS015920145

Weitere Namen anzeigen

Phenol, 3-fluoro-5-methoxy-

CS-W004009MB10146DS-15816SY1022433-FLUORO-5-HYDROXYANISOLEFT-07226963-Fluoro-5-methoxyphenolESCHEMBL522122

Datenbank-Bezeichner

CAS: 850793-25-8
PubChem CID: 52180821
DTXSID: DTXSID30680258
EC Number: 810-108-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
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: 222 · 222.0±20.0 °C(Predicted)
Dichte: 1.224 · 1.224±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 8.59 · 8.59±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (33.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (66.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (33.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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 3 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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (33.3%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (66.7%)；Eye Irrit. 2 (33.3%)；Acute Tox. 4 (33.3%)；STOT SE 3 (100%)