CAS 588702-62-9 4-(Trifluoromethyl)pyridine-2-carboxylic acid (HCID 12025164)

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Grundinformationen

CAS: 588702-62-9
Standard-SMILES: O=C(O)c1cc(C(F)(F)F)ccn1
InChIKey: BPRWTROIQXSSOC-UHFFFAOYSA-N
Summenformel: C7H4F3NO2
Durchschnittliche Molmasse: 191,108 g/mol
Monoisotopische Masse: 191,01941303

Namen und Bezeichner

Bevorzugter Name: 4-(Trifluoromethyl)pyridine-2-carboxylic acid
IUPAC: 4-(Trifluoromethyl)pyridine-2-carboxylic acid
Englischer Name: 4-(Trifluoromethyl)pyridine-2-carboxylic acid
Summenformel: C7H4F3NO2
Molmasse: 191.11

Namen und Synonyme

4-(TRIFLUOROMETHYL)-PICOLINIC ACID4-(Trifluoromethyl)-2-pyridinecarboxylicaci4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACI4-(Trifluoromethyl)-2-pyridinecarboxylic acid4-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID2-Pyridinecarboxylic acid, 4-(trifluoromethyl)-4-(Trifluoromethyl)pyridine-2-carboxylic acid, CAS 588702-62-94-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXYLIC ACID ISO 9001：2015 REACH4-(Trifluoromethyl)picolinic acid, 2-Carboxy-4-(trifluoromethyl)pyridine

Datenbank-Bezeichner

CAS: 588702-62-9
PubChem CID: 12025164
DTXSID: DTXSID20476006
ChEMBL: CHEMBL4457121
EC Number: 633-443-9
Nikkaji: J2.008.072H

Eigenschaften

Physikochemische Eigenschaften

Schmelzpunkt: 159 · 159-161°C
Siedepunkt: 293.6 · 293.6±40.0 °C(Predicted)
Dichte: 1.484 · 1.484±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 3.21 · 3.21±0.10(Predicted)
Aggregatzustand: fine crystalline powder
Farbe: Faint lemon (hint of cream)
InChI: InChI=1S/C7H4F3NO2/c8-7(9,10)4-1-2-11-5(3-4)6(12)13/h1-3H,(H,12,13)
InChIKey: BPRWTROIQXSSOC-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=NC=CC(C(F)(F)F)=C1

Sicherheit und Regulatorisches

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-51-38-36/37-24/25-22-7/9
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 Oral

Chemie und Industrie

Anwendungen · 1 Eintrag

BeschreibungPyridine-2-carboxylic acid (picolinic acid) has been extensively studied due to its magnetic, structural, medicinal and biological properties. Picolinic acid plays a vital role in the absorption of zinc and has neuro-protective, immunological and antiproliferative effects within the body. The multifunctional ligands containing N and O-donors, such as picolinic acid, are of great interest since they are significant from the industrial point of view. 4-(Trifluoromethyl)pyridine-2-carboxylic acid, a derivative of picolinic acid, could be used to synthesise a new polymeric copper(II) complex as a ligand[1].