2-Cyano-5-fluoropyridine

HCID 11332453

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Grundinformationen

CAS: 327056-62-2
Standard-SMILES: N#Cc1ccc(F)cn1
InChIKey: BHXHRMVSUUPOLX-UHFFFAOYSA-N
Summenformel: C6H3FN2
Durchschnittliche Molmasse: 122,1 g/mol
Monoisotopische Masse: 122,02802632

Überblick

2-Cyano-5-fluoropyridine is a member of pyridines.

Namen und Bezeichner

Bevorzugter Name: 2-Cyano-5-fluoropyridine
IUPAC: 5-fluoropyridine-2-carbonitrile
Englischer Name: 2-Cyano-5-fluoropyridine
Summenformel: C6H3FN2
Molmasse: 122.1

Namen und Synonyme

2-Cyano-5-fluoropyridine327056-62-2DTXSID90462537RefChem:259627DTXCID80413356627-618-95-fluoropyridine-2-carbonitrile5-fluoropicolinonitrile5-FLUORO-2-PYRIDINECARBONITRILEMFCD087413712-Cyano-5-fluorpyridine5-Fluoro-pyridine-2-carbonitrile

Weitere Namen anzeigen

5-Fluoro-2-cyanopyridine2-Cyano-5-fluoropyridine, 98+%5-Fluoropyridin-2-carbonitrile2-Carbonitrile-5-fluoropyridine6-methyl-5-nitro-1H-pyridin-3-one

SCHEMBL1852795-luoropyridine-2-carbonitrileorb3170133SCHEMBL21294338SCHEMBL298268472-Cyano-5-fluoropyridine, 97%BHXHRMVSUUPOLX-UHFFFAOYSA-NCHEBI:194641

Datenbank-Bezeichner

CAS: 327056-62-2
PubChem CID: 11332453
DTXSID: DTXSID90462537
ChEBI: CHEBI:194641
EC Number: 627-618-9
Nikkaji: J3.018.574I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 36,7 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 137

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-41 °C
Siedepunkt: 214.9 · 214.9±20.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
Flammpunkt: 99 °C · 99 °C
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
pka: -2.74 · -2.74±0.10(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C6H3FN2/c7-5-1-2-6(3-8)9-4-5/h1-2,4H
InChIKey: BHXHRMVSUUPOLX-UHFFFAOYSA-N
SMILES: C1(C#N)=NC=C(F)C=C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (96%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (96%)

Sicherheitsdaten

wgk: 3
ridadr: UN3439
hs_code: 2933399990
risk_code: 22-41-50/53
hazard_code: Xn,N
safety_code: 26-39-60-61
hazard_class: 6.1
packing_group: III
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1