4-Ethoxy-2,3-difluorobenzoic acid

HCID 2769400CAS 124728-45-6

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Grundinformationen

Standard-SMILES: CCOc1ccc(C(=O)O)c(F)c1F
InChIKey: KMFHBAZUQFJVKK-UHFFFAOYSA-N
Summenformel: C9H8F2O3
Durchschnittliche Molmasse: 202,15 g/mol
Monoisotopische Masse: 202,04415044

Namen und Bezeichner

Bevorzugter Name: 4-Ethoxy-2,3-difluorobenzoic acid
IUPAC: 4-ethoxy-2,3-difluorobenzoic acid
Englischer Name: 2,3-DIFLUORO-4-ETHOXYBENZOIC ACID
Summenformel: C9H8F2O3
Molmasse: 202.16

Namen und Synonyme

4-ethoxy-2,3-difluorobenzoic acid124728-45-62,3-Difluoro-4-ethoxybenzoic acid875664-49-6DTXSID10377710RefChem:522587DTXCID20328738630-101-0642-484-1Benzoic acid, 4-ethoxy-2,3-difluoro-MFCD02258849Benzoic acid, 4-ethoxy-2,3-difluoro- (9CI)

Weitere Namen anzeigen

5-ethoxy-2,3-difluorobenzoic acidBenzoic acid, 5-ethoxy-2,3-difluoro-

4-Carboxy-2,3-difluorophenetole4-ethoxy-2,3-difluoro-benzoic Acid2,3-DIFLUORO-4-ETHOXYBENZOICACID4-Ethoxy-2,3-difluoro benzoic acidSCHEMBL7049764-ethoxy-2,3-difluorobenzoicacid4-Ethoxy-23-difluorobenzoic acidKMFHBAZUQFJVKK-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 124728-45-6、875664-49-6
PubChem CID: 2769400
DTXSID: DTXSID10377710
EC Number: 630-101-0、642-484-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 210

Physikochemische Eigenschaften

Siedepunkt: 301.201 · 301.201±37.00 °C(Press: 760.00 Torr)(predicted)
Dichte: 1.34 · 1.340±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 2.832 · 2.832±0.10(predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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 7 reports by companies from 3 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.