2-Cyano-3,5-difluoropyridine

HCID 2783253CAS 298709-29-2

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Grundinformationen

Standard-SMILES: N#Cc1ncc(F)cc1F
InChIKey: WLBIFECTHKFYKV-UHFFFAOYSA-N
Summenformel: C6H2F2N2
Durchschnittliche Molmasse: 140,09 g/mol
Monoisotopische Masse: 140,0186045

Namen und Bezeichner

Bevorzugter Name: 2-Cyano-3,5-difluoropyridine
IUPAC: 3,5-difluoropyridine-2-carbonitrile
Englischer Name: 2-Cyano-3,5-difluoropyridine
Summenformel: C6H2F2N2
Molmasse: 140.09

Namen und Synonyme

2-Cyano-3,5-difluoropyridine298709-29-2DTXSID80382538RefChem:259613DTXCID60333563678-766-63,5-difluoropicolinonitrile3,5-difluoropyridine-2-carbonitrile3,5-Difluoro-2-cyanopyridineMFCD037887593,5-difluoro-2-pyridincarbonitrile3,5-Difluoro-pyridine-2-carbonitrile

Weitere Namen anzeigen

2-cyano-difluoropyridine3,5-Difluoropicolinitrile2-Cyano-3,5-difluorophenol3,5-DIFLURO-2-CYANOPYRIDINE3,5-difluoronicotinonitrile2-Cyano-3,5-difluorpyridine2-Cyano-3,5-difluoropyridine >

AKOS005063486SY012024C2753EN300-84245BCP22078SCHEMBL186339orb29403333,5-difluoro-2-cyano pyridine

Datenbank-Bezeichner

CAS: 298709-29-2
PubChem CID: 2783253
DTXSID: DTXSID80382538
EC Number: 678-766-6

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 162

Physikochemische Eigenschaften

Schmelzpunkt: 32 · 32-34°C
Siedepunkt: 187.8 · 187.8±35.0 °C(Predicted)
Dichte: 1.36 · 1.36±0.1 g/cm3(Predicted)
Flammpunkt: 90 ℃ · 90℃
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -5.16 · -5.16±0.20(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C6H2F2N2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChIKey: WLBIFECTHKFYKV-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(F)C=C1F
CAS Datenbank: 298709 · 298709-29-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (82.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (82.6%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 2933399990
risk_code: 20/21/22-36/38-41-37/38-22
hazard_code: Xi,Xn
hazard_note: Harmful/Irritant
safety_code: 26-36/37/39-39
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung2-Cyano-3,5-difluoropyridine is a difluorinated cyanopyridine compound exhibiting high electron-withdrawing properties. Consequently, its fluorine substituents readily undergo nucleophilic aromatic substitution reactions. This characteristic renders the compound extensively utilised in pharmaceutical synthesis, electronic materials, and organic synthesis applications.

Verwenden2-Cyano-3,5-difluoropyridine is a versatile reactant used in the preparation of potent and selective inhibitors of DPP-4 that exhibit an attractive pharmacokinetic profile as antidiabetics.