6-Fluoropyridine-2-carboxylic acid

HCID 226027CAS 402-69-7

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Grundinformationen

Standard-SMILES: O=C(O)c1cccc(F)n1
InChIKey: DIEMCUFYSOEIDU-UHFFFAOYSA-N
Summenformel: C6H4FNO2
Durchschnittliche Molmasse: 141,1 g/mol
Monoisotopische Masse: 141,02260659

Namen und Bezeichner

Bevorzugter Name: 6-Fluoropyridine-2-carboxylic acid
IUPAC: 6-fluoropyridine-2-carboxylic acid
Englischer Name: 2-Fluoropyridine-6-carboxylic acid
Summenformel: C6H4FNO2
Molmasse: 141.1

Namen und Synonyme

6-Fluoropyridine-2-carboxylic acidRefChem:543264637-034-6402-69-76-Fluoropicolinic acid2-fluoropyridine-6-carboxylic acid6-Fluoro-2-pyridinecarboxylic acid2-Fluoro-6-pyridinecarboxylic acid2-Pyridinecarboxylic acid, 6-fluoro-MFCD021811936-fluoro picolinic acidSCHEMBL107964

Weitere Namen anzeigen

657532-Fluoroyridine-6uoro-2-pyridinecarboxyL5-Amino-6-chloro-4-picoline2-Fluoroyridine-6-carboxylicacid2-Fluoropyridine-6-carboxylicaci6-Fluoro-2-pyridinecarboxylicacid

2-fluoro-6-pyridine carboxylic acidCS-W019850PS-90226-Fluoro-pyridine-2-carboxylic acid2-fluoro-6-carboxypyridine6-Fluoropyridine-2-carboxylicacidBCP22178NSC16023

Datenbank-Bezeichner

CAS: 402-69-7
PubChem CID: 226027
DTXSID: DTXSID00280229
EC Number: 637-034-6
Nikkaji: J2.115.599C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 140

Physikochemische Eigenschaften

Schmelzpunkt: 139 · 139-143 °C (lit.)
Siedepunkt: 306.3 · 306.3±22.0 °C(Predicted)
Dichte: 1.419 · 1.419±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.3 · 3.30±0.10(Predicted)
Aggregatzustand: Powder or Crystalline Powder
Farbe: White to yellow to pale brown
InChI: 1S/C6H4FNO2/c7-5-3-1-2-4(8-5)6(9)10/h1-3H,(H,9,10)
InChIKey: DIEMCUFYSOEIDU-UHFFFAOYSA-N
SMILES: OC(=O)c1cccc(F)n1
CAS Datenbank: 402 · 402-69-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.