Methyl 2-fluoro-4-hydroxybenzoate

HCID 22463192

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Grundinformationen

CAS: 197507-22-5
Standard-SMILES: COC(=O)c1ccc(O)cc1F
InChIKey: WYSPMXSNCAFCFV-UHFFFAOYSA-N
Summenformel: C8H7FO3
Durchschnittliche Molmasse: 170,14 g/mol
Monoisotopische Masse: 170,03792224

Namen und Bezeichner

Bevorzugter Name: Methyl 2-fluoro-4-hydroxybenzoate
IUPAC: methyl 2-fluoro-4-hydroxybenzoate
Englischer Name: Methyl 2-fluoro-4-hydroxybenzoate
Summenformel: C8H7FO3
Molmasse: 170.14

Namen und Synonyme

METHYL 2-FLUORO-4-HYDROXYBENZOATE197507-22-5DTXSID60625798RefChem:354259DTXCID80576551815-187-1BENZOIC ACID, 2-FLUORO-4-HYDROXY-, METHYL ESTER2-FLUORO-4-HYDROXYBENZOIC ACID METHYL ESTERMFCD090382822-fluoro-4-hydroxy-benzoic acid methyl estermethyl 2-fluoro-4-hydroxy-benzoateMethyl2-Fluoro-4-hydroxybenzoate

Weitere Namen anzeigen

Methyl2-fluoro-4-hydroxybenzoate,98%Methyl 2-fluoro-4-hydroxybenzoate 98%

SCHEMBL177038Methyl-2-fluoro4-hydroxybenzoatemethyl-2-fluoro-4-hydroxybenzoateWYSPMXSNCAFCFV-UHFFFAOYSA-Nmethyl 2-fluoro-4-hydroxybenzoate;CL8539AKOS006331908CS-W008400

Datenbank-Bezeichner

CAS: 197507-22-5
PubChem CID: 22463192
DTXSID: DTXSID60625798
EC Number: 815-187-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Siedepunkt: 287 ℃ · 287℃
Dichte: 1.309 · 1.309
Flammpunkt: 127 ℃ · 127℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: crystalline powder
pka: 7.36 · 7.36±0.18(Predicted)
Farbe: Off white to faint gold
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C8H7FO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChIKey: WYSPMXSNCAFCFV-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(O)C=C1F

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 10 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

hs_code: 2918290090

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenMethyl 2-fluoro-4-hydroxybenzoate can be used in the preparation of compounds, with the ability to inhibit cytosolic phospholipase A2α. It is also an intermediate in the synthesis of 3-(2-fluoro-4-hydroxyphenyl)-5-(trifluoromethyl) -4-isoxazolecarboxylic acid methyl ester (F591865).