3-Fluoro-2-pyridinecarboxaldehyde

HCID 11344017CAS 31224-43-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=Cc1ncccc1F
InChIKey: OZIMPUNGBUYCSP-UHFFFAOYSA-N
Summenformel: C6H4FNO
Durchschnittliche Molmasse: 125,1 g/mol
Monoisotopische Masse: 125,02769197

Namen und Bezeichner

Bevorzugter Name: 3-Fluoro-2-pyridinecarboxaldehyde
IUPAC: 3-fluoropyridine-2-carbaldehyde
Englischer Name: 3-Fluoro-2-formylpyridine
Summenformel: C6H4FNO
Molmasse: 125.1

Namen und Synonyme

3-Fluoro-2-pyridinecarboxaldehydeRefChem:501656690-026-43-fluoro-2-formylpyridine31224-43-83-fluoropyridine-2-carbaldehyde3-fluoropicolinaldehyde3-fluoropyridine-2-carboxaldehydeMFCD07781234SCHEMBL14668743-fluoro-pyridin-2-carbaldehyde3-fluoro-pyridine-2-carbaldehyde

Weitere Namen anzeigen

uoropyridine-2-carbaL3-FLURO-2-FORMYLPYRIDINE3-FLUORO-2-FORMYLPYRIDINE ,98%3-fluoro-2-formylpyridine FP161123

DTXSID204628882-FORMYL-3-FLUOROPYRIDINEAKOS005063863SY022254EN300-946552-PYRIDINECARBOXALDEHYDE, 3-FLUORO-A5656AM20070289

Datenbank-Bezeichner

CAS: 31224-43-8
PubChem CID: 11344017
DTXSID: DTXSID20462888
EC Number: 690-026-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 30 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 107

Physikochemische Eigenschaften

Schmelzpunkt: 49 °C · 49 °C
Siedepunkt: 112 °C/50mmHg · 112°C/50mmHg(lit.)
Dichte: 1.269 · 1.269±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
Aggregatzustand: Solid
pka: 1.25 · 1.25±0.10(Predicted)
Farbe: White to Green to Brown
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C6H4FNO/c7-5-2-1-3-8-6(5)4-9/h1-4H
InChIKey: OZIMPUNGBUYCSP-UHFFFAOYSA-N
SMILES: C1(C=O)=NC=CC=C1F
CAS Datenbank: 31224 · 31224-43-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (97.8%): 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)

Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.8%)

Sicherheitsdaten

hs_code: 2933399990
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Harmful
safety_code: 26

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Fluoropyridine-2-carboxaldehyde is used to prepare taxoids derived from 9β-dihydrobaccatin-9,10-acetals with anti-tumor activities. It is also an intermediate used to synthesize S-3578 derivatives with potent activities against both methicillin-resistant Staphylococcus aureus (MRSA) and Pseudomonas aeruginosa.