2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid

HCID 28307766

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Grundinformationen

CAS: 1040681-74-0
Standard-SMILES: O=C(O)c1c(C(F)(F)F)ccnc1F
InChIKey: ABXMDMDQUVWALB-UHFFFAOYSA-N
Summenformel: C7H3F4NO2
Durchschnittliche Molmasse: 209,1 g/mol
Monoisotopische Masse: 209,00999122

Überblick

2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid is a member of pyridines and an aromatic carboxylic acid.

Namen und Bezeichner

Bevorzugter Name: 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
IUPAC: 2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
Englischer Name: 2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylicacid
Summenformel: C7H3F4NO2
Molmasse: 209.1

Namen und Synonyme

1040681-74-02-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acidDTXSID80651276RefChem:260919DTXCID80602026631-275-02-Fluoro-4-(trifluoromethyl)nicotinic acid2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylicacidMFCD106874032-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid, 97%MS-20088CS-0155603

Weitere Namen anzeigen

2-Fluoro-4-(tri?uoromethyl)nicotinic acid2-Fluoro-4-(trifluoroMethyl)pyridin-3-carboxylic acid2-Fluoro-4-(trifluoromethyl)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-fluoro-4-(trifluoromethyl)-2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid 97%

D82229AMY177322-Fluoro-4-trifluoromorb3030925SCHEMBL1699267CHEBI:194798Fr13157SBB094146

Datenbank-Bezeichner

CAS: 1040681-74-0
PubChem CID: 28307766
DTXSID: DTXSID80651276
ChEBI: CHEBI:194798
EC Number: 631-275-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 230

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-100 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: solid
InChI: 1S/C7H3F4NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChIKey: ABXMDMDQUVWALB-UHFFFAOYSA-N
SMILES: OC(=O)c1c(F)nccc1C(F)(F)F

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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.