3-Cyano-2-fluoropyridine

HCID 2783254CAS 3939-13-7

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Grundinformationen

Standard-SMILES: N#Cc1cccnc1F
InChIKey: USIDQCCXMGJOJM-UHFFFAOYSA-N
Summenformel: C6H3FN2
Durchschnittliche Molmasse: 122,1 g/mol
Monoisotopische Masse: 122,02802632

Namen und Bezeichner

Bevorzugter Name: 3-Cyano-2-fluoropyridine
IUPAC: 2-fluoropyridine-3-carbonitrile
Englischer Name: 3-Cyano-2-fluoropyridine
Summenformel: C6H3FN2
Molmasse: 122.1

Namen und Synonyme

3-Cyano-2-fluoropyridine3939-13-72-fluoro-3-pyridinecarbonitrileDTXSID40382539RefChem:500580DTXCID20333564678-765-02-fluoronicotinonitrile2-fluoropyridine-3-carbonitrileMFCD030950822-fluoronicotin-onitrile2-Fluoro-nicotinonitrile

Weitere Namen anzeigen

3-Cyano-2-fluoropyri2-Fluoro-3-cyanopridine4-Fluoro-nicotinonitrile3-Fluoro-4-cyanopyridine3-Cyano-4-fluoropyridine3-Cyano-2-fluoropyridine,98%3-Cyano-2-fluoropyridine >

2-fluoro-3-cyanopyridineSCHEMBL317521AC-262313-Pyridinecarbonitrile, 2-fluoro-FT-0615542SCHEMBL7759372SCHEMBL29422876CS-D1001

Datenbank-Bezeichner

CAS: 3939-13-7
PubChem CID: 2783254
DTXSID: DTXSID40382539
EC Number: 678-765-0
Nikkaji: J594.820G

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: 27 · 27-30°C
Siedepunkt: 214.6 · 214.6±20.0 °C(Predicted)
Dichte: 1.24 · 1.24±0.1 g/cm3(Predicted)
Flammpunkt: 98 ℃ · 98℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: powder to lump
pka: -3.88 · -3.88±0.10(Predicted)
Farbe: White to Dark green
BRN: 386567 · 386567
InChI: InChI=1S/C6H3FN2/c7-6-5(4-8)2-1-3-9-6/h1-3H
InChIKey: USIDQCCXMGJOJM-UHFFFAOYSA-N
SMILES: C1(F)=NC=CC=C1C#N
CAS Datenbank: 3939 · 3939-13-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29333990
risk_code: 20/21/22-36/37/38-5-36/38-22
hazard_code: Xi,Xn
hazard_note: Harmful/Irritant
safety_code: 26-36/37/39-36-24/25-23-3
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden3-Cyano-2-fluoropyridine have been successfully used in preparation of compounds with diverse spectrum of biological activity. Other 3-cyano-2-fluoropyridine can potentially be used as promising agents for the positron emission tomography (PET). Additionally, it has previously been demonstrated that 3-cyanopyridines can be transformed into -amides, -carboxylic acids, and -esters.