5-fluoropyridine-2-carboxylic Acid

HCID 2762876CAS 107504-08-5

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Grundinformationen

Standard-SMILES: O=C(O)c1ccc(F)cn1
InChIKey: JTKFIIQGMVKDNZ-UHFFFAOYSA-N
Summenformel: C6H4FNO2
Durchschnittliche Molmasse: 141,1 g/mol
Monoisotopische Masse: 141,02260659

Namen und Bezeichner

Bevorzugter Name: 5-fluoropyridine-2-carboxylic Acid
IUPAC: 5-fluoropyridine-2-carboxylic acid
Englischer Name: 5-Fluoro-2-picolinic acid
Summenformel: C6H4FNO2
Molmasse: 141.1

Namen und Synonyme

107504-08-55-fluoropyridine-2-carboxylic AcidDTXSID80376533RefChem:102662DTXCID40327561675-772-05-Fluoro-2-picolinic acid5-Fluoropicolinic acid5-FLUORO-2-PYRIDINECARBOXYLIC ACIDMFCD04114196SCHEMBL1101295-fluoropyridin-2-carboxylic acid

Weitere Namen anzeigen

EOS-605105-Fluoropicolinicaci5-Fluoropyridine-2-carboxylic2-carboxylate - 5-fluoropyridine5-Fluoropyrdine-2-carboxylic acid5-Fluoropyridin-2-ylpicolinicacid

5-Fluoro-2-pyridine carboxylic acidAB17969F08385-Fluoropyridine-2-carboxylic acid, AldrichCPR2-PYRIDINECARBOXYLIC ACID, 5-FLUORO-5-Fluoro-pyridine-2-carboxylic acidAM20061762JTKFIIQGMVKDNZ-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 107504-08-5
PubChem CID: 2762876
DTXSID: DTXSID80376533
EC Number: 675-772-0
Nikkaji: J3.119.898D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
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: 164 · 164-166℃
Siedepunkt: 275.1 · 275.1±20.0 °C(Predicted)
Dichte: 1.419 · 1.419±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: 3.58 · 3.58±0.10(Predicted)
Farbe: White to Light yellow to Light orange
InChI: InChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKey: JTKFIIQGMVKDNZ-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=C(F)C=C1
CAS Datenbank: 107504 · 107504-08-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 10% (1 of 10) of reports.

Warning

H315 (90%): 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 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.