2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile

HCID 2733849CAS 82671-02-1

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Grundinformationen

Standard-SMILES: N#Cc1cc(F)c(Cl)nc1Cl
InChIKey: DEDKKOOGYIMMBC-UHFFFAOYSA-N
Summenformel: C6HCl2FN2
Durchschnittliche Molmasse: 190,99 g/mol
Monoisotopische Masse: 189,95008161

Überblick

2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile is a nitrile and a member of pyridines.

Namen und Bezeichner

Bevorzugter Name: 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
IUPAC: 2,6-dichloro-5-fluoropyridine-3-carbonitrile
Englischer Name: 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
Summenformel: C6HCl2FN2
Molmasse: 190.99

Namen und Synonyme

2,6-Dichloro-5-fluoro-3-pyridinecarbonitrileRefChem:445422628-096-582671-02-12,6-dichloro-5-fluoronicotinonitrile2,6-Dichloro-3-cyano-5-fluoropyridine2,6-dichloro-5-fluoropyridine-3-carbonitrileC6HCl2FN23-CYANO-2,6-DICHLORO-5-FLUOROPYRIDINEMFCD018632892,6-dichloro-5-fluoro-pyridine-3-carbonitrile3-Pyridinecarbonitrile, 2,6-dichloro-5-fluoro-

Weitere Namen anzeigen

Fluoronicotinitrile2,6-Dichloro-5-fluorFluorochloronicotinoid6-Dichloro-3-cyano-5-fluoropyridine3-cyano-5-fluoro-2,6-Dihydroxypyridine

2,6-Dichloro-5-fluoro-3-nicotinonitrileAKOS0050640812,6-dichloro-3-fluoro-5-cyanopyridinD3972EN300-1251392,6-Dichloro-5-fluoro-3-pyridinecarbonitrile, 98%2,6-Dichloro-5-fluoro-3-cyanopyridine2,6-Dichloro-5-fluoro-nicotinonitrile

Datenbank-Bezeichner

CAS: 82671-02-1
PubChem CID: 2733849
DTXSID: DTXSID80370016
ChEBI: CHEBI:194733
UNII: W7V4DG9YQS
EC Number: 628-096-5
Nikkaji: J3.423.143E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 190

Physikochemische Eigenschaften

Schmelzpunkt: 89 · 89-91 °C (lit.)
Siedepunkt: 267.8 · 267.8±35.0 °C(Predicted)
Dichte: 1.6175 · 1.6175 (estimate)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: soluble in Methanol
pka: -6.91 · -6.91±0.10(Predicted)
Aggregatzustand: Crystalline Powder
Farbe: Light yellow
InChI: InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H
InChIKey: DEDKKOOGYIMMBC-UHFFFAOYSA-N
SMILES: C1(Cl)=NC(Cl)=C(F)C=C1C#N
CAS Datenbank: 82671 · 82671-02-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (44.7%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 85 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.