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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 11378949Erstellt: 27. Oktober 2026

Emd-50929

AKOS BAR-1640 · 5-(4-FLUOROPHENYL)NICOTINIC ACID · 5-(4-FLUOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID · 3-(4-Fluorophenyl)-5-pyridinecarboxylic acid · 5-(4-Fluorophenyl)-3-pyridinecarboxylic acid · 3,4-9FLUOROPHENYL)-S-PYRIDINE CARBOXYLIC ACID · 3-Pyridinecarboxylic acid, 5-(4-fluorophenyl)- · 5-(4-Fluorophenyl)pyridine-3-carboxylic acid for synthesis

https://huagongshe.com/de/chemical/11378949

Molekülstruktur von Emd-50929

Identifikatoren & physikalische Daten

CAS No.364064-17-5
SummenformelC12H8FNO2
Durchschnittliche Molmasse217,2 g/mol
Monoisotopische Masse217,05390672 g/mol
SMILESO=C(O)c1cncc(-c2ccc(F)cc2)c1
InChIKeyKISDAKHYANOMTN-UHFFFAOYSA-N
PubChem CID11378949
EC No.609-242-7
DTXSIDDTXSID90464036

Chemische & physikalische Eigenschaften

XLogP2,1
Polarare Oberfläche (TPSA)50,2
H-Brücken-Donoren1
H-Brücken-Akzeptoren4
Frei drehbare Bindungen2
Schwere Atome16
Formalladung0
Komplexität251
Schmelzpunkt215°C
Siedepunkt415.7±35.0 °C(Predicted)
Dichte0.5 g/cm3 (20℃)
LagerbedingungenSealed in dry,2-8°C
pKa (Säurekonstante)2.08±0.10(Predicted)
Aggregatzustandpowder
pH5.7 (5g/l, H2O, 20℃)
InChI1S/C12H8FNO2/c13-11-3-1-8(2-4-11)9-5-10(12(15)16)7-14-6-9/h1-7H,(H,15,16)
InChIKeyKISDAKHYANOMTN-UHFFFAOYSA-N
SMILESFc1ccc(cc1)c2cncc(c2)C(=O)O

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)WGK 2
Zollcode2933399990
Lagerklasse11 - Combustible Solids