Pentafluorpyridin

Pentafluoropyridine

HCID 69690CAS 700-16-3

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Grundinformationen

Standard-SMILES: Fc1nc(F)c(F)c(F)c1F
InChIKey: XTGOWLIKIQLYRG-UHFFFAOYSA-N
Summenformel: C5F5N
Durchschnittliche Molmasse: 169,05 g/mol
Monoisotopische Masse: 168,9950901

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: Pentafluoropyridine
IUPAC: 2,3,4,5,6-pentafluoropyridine
Lokaler Name: Pentafluorpyridin
Englischer Name: Pentafluoropyridine
Summenformel: C5F5N
Molmasse: 169.05

Namen und Synonyme

Pentafluoropyridine700-16-3Perfluoropyridine2,3,4,5,6-PentafluoropyridineDTXSID70220258RefChem:171373DTXCID70142749211-839-9Pyridine, pentafluoro-MFCD00006225C5F5N2,3,4,5,6-Perfluoropyridine

Weitere Namen anzeigen

Pentafluoropyridine>Pentafluoropyridine 99%5-Chloro-2-caynopyridinePENTAFLUOROPYRIDINE, 99+%Pentafluoropyridine, 99+% 5GRPyridine, 2,3,4,5,6-pentafluoro-

EINECS 211-839-9Pentafluoropyridine, >=99%SCHEMBL1886942,3,4,5,6-pentafluoro-pyridineSBB088228AKOS005063396CS-W0177314-methoxybenzoic acid 2-ethylbutyl ester

Datenbank-Bezeichner

CAS: 700-16-3
PubChem CID: 69690
DTXSID: DTXSID70220258
EC Number: 211-839-9
Nikkaji: J89B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 129

Experimentelle und physikochemische Eigenschaften

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physikochemische Eigenschaften

Schmelzpunkt: -42 · -42
Siedepunkt: 83 · 83-85 °C
Dichte: 1.54 g/mL · 1.54 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.386(lit.)
Flammpunkt: 75 °F · 75 °F
storage temp.: 2 · Inert atmosphere,2-8°C
Aggregatzustand: Liquid
pka: -12.08 · -12.08±0.28(Predicted)
Farbe: Clear colorless
Wichte: 1.62 · 1.62
Wasserlöslichkeit: Not miscible or difficult to mix in water.
BRN: 1427064 · 1427064
InChI: 1S/C5F5N/c6-1-2(7)4(9)11-5(10)3(1)8
InChIKey: XTGOWLIKIQLYRG-UHFFFAOYSA-N
SMILES: Fc1nc(F)c(F)c(F)c1F
CAS Datenbank: 700 · 700-16-3(CAS DataBase Reference)
NIST chemische Informationen: Pyridine, pentafluoro-(700-16-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H226 (98.1%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (98.1%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29333990
risk_code: 10-20/21/22-36/37/38
hazard_code: Xn,F,Xi
hazard_note: Flammable/Irritant
safety_code: 26-28-24/25-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralFlam. Liq. 3

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenPentafluoropyridine was used in the preparation of η2-C,C coordinated pentafluoropyridine complex. It was also used in the preparation of polyfluorinated coupling products via Pd(0)-catalyzed cross-coupling reaction with diarylzinc compounds. It was also used as derivatizing reagent in the sensitive GC-MS method for determination of the four endocrine disrupting chemicals.