2-Chloro-3-fluoropyridine-4-carboxylic acid

HCID 2782812

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 628691-93-0
Standard-SMILES: O=C(O)c1ccnc(Cl)c1F
InChIKey: NWNWBLRKHOVSEL-UHFFFAOYSA-N
Summenformel: C6H3ClFNO2
Durchschnittliche Molmasse: 175,54 g/mol
Monoisotopische Masse: 174,98363424

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-3-fluoropyridine-4-carboxylic acid
IUPAC: 2-chloro-3-fluoropyridine-4-carboxylic acid
Englischer Name: 2-Chloro-3-fluoropyridine-4-carboxylic acid
Summenformel: C6H3ClFNO2
Molmasse: 175.54

Namen und Synonyme

628691-93-02-Chloro-3-fluoropyridine-4-carboxylic acidDTXSID30978602RefChem:468686DTXCID101405913672-530-62-Chloro-3-fluoroisonicotinic acid2-chloro-3-fluoro-4-carboxypyridine922147-45-3MFCD040383252-chloro-3-fluoro-pyridine-4-carboxylic AcidCS-D0957

Weitere Namen anzeigen

2-Chloro-3-FluoroisonicotinicAci2-chloro-3-fluoro-4-pyridinecarboxylic acid2-Chloro-3-Fluoroisonicotinic Acid(WX614144)2-CHLORO-3-FLUOROISONICOTINIC ACID ISO 9001：2015 REACH2-Chloro-3-fluoropyridine-4-carboxylic acid, 4-Carboxy-2-chloro-3-fluoropyridine

2-chloro-3-fluoro-isonicotinic acid4-Pyridinecarboxylic acid, 2-chloro-3-fluoro-Ethanone, 1-(2-pyrimidinyl)2-Chloro-3-fluoro-4-carboxy pyridine2-Chloro-3-fluoro-2-CHLORO-3-FLUOROISONICOTINICACIDFT-0657720SCHEMBL473869

Datenbank-Bezeichner

CAS: 628691-93-0
PubChem CID: 2782812
DTXSID: DTXSID30978602
EC Number: 672-530-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 167

Physikochemische Eigenschaften

Schmelzpunkt: 199 °C · 199 °C (dec.)
Siedepunkt: 389.1 · 389.1±37.0 °C(Predicted)
Dichte: 1.576 · 1.576±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 2.07 · 2.07±0.10(Predicted)
Aggregatzustand: powder
Farbe: Off-white
InChI: InChI=1S/C6H3ClFNO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)
InChIKey: NWNWBLRKHOVSEL-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC(C(O)=O)=C1F
CAS Datenbank: 628691 · 628691-93-0(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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden2-Chloro-3-fluoropyridine-4-carboxylic acid is a carboxylic acid, which has been reported in the literature to be used in the preparation of antiplatelet drugs of the ADP receptor antagonist class.