Pyridin-2,6-dicarbonyldichlorid

2,6-Pyridinedicarbonyl dichloride

HCID 77335CAS 3739-94-4

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Grundinformationen

Standard-SMILES: O=C(Cl)c1cccc(C(=O)Cl)n1
InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N
Summenformel: C7H3Cl2NO2
Durchschnittliche Molmasse: 204,01 g/mol
Monoisotopische Masse: 202,9540837

Namen und Bezeichner

Bevorzugter Name: 2,6-Pyridinedicarbonyl dichloride
IUPAC: pyridine-2,6-dicarbonyl chloride
Lokaler Name: Pyridin-2,6-dicarbonyldichlorid
Englischer Name: 2,6-Pyridinedicarboxylic acid chloride
Summenformel: C7H3Cl2NO2
Molmasse: 204.01

Namen und Synonyme

2,6-Pyridinedicarbonyl dichloridePyridine-2,6-dicarbonyl dichlorideDTXSID70958483EINECS 223-125-4RefChem:83386DTXCID701386387223-125-4GWHOGODUVLQCEB-UHFFFAOYSA-N3739-94-42,6-Pyridinedicarbonyl chloride2,6-Pyridinedicarboxylic acid chloridepyridine-2,6-dicarbonyl chloride

Weitere Namen anzeigen

2,6-pyridinediformyl chloride2,6-Bis(chlorocarbonyl)pyridinePyridine-2,6-biscarbonyl chloridepyridine-2,6-dicarboyl dichloride(S)-(-)-1-(4-METHOXYPHENYL)ETHANOL2,6-Pyridinebis(carbonyl chloride)

2,6-PyridinedicarboxylicacidchloridePyridine-2,6-dicarboxylic acid chlorideMFCD00006289E781482,6-Pyridinedicarbony chloride2,6-Pyridin2,6-Pyridinedicarboxylic acid dichlorideA823625

Datenbank-Bezeichner

CAS: 3739-94-4
PubChem CID: 77335
DTXSID: DTXSID70958483
EC Number: 223-125-4
Nikkaji: J187B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 47 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 188

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-58 °C (lit.)
Siedepunkt: 284 °C · 284 °C (lit.)
Dichte: 1.4521 · 1.4521 (rough estimate)
Brechungsindex: 1.61 · 1.6100 (estimate)
Flammpunkt: 284 °C · 284°C
storage temp.: 2 · Storage temp. 2-8°C
pka: -2.12 · -2.12±0.10(Predicted)
Aggregatzustand: Crystalline Powder, Crystals or Chunks
Farbe: White to brown
Wasserlöslichkeit: Insoluble in water.
BRN: 131556 · 131556
InChI: InChI=1S/C7H3Cl2NO2/c8-6(11)4-2-1-3-5(10-4)7(9)12/h1-3H
InChIKey: GWHOGODUVLQCEB-UHFFFAOYSA-N
SMILES: C1(C(Cl)=O)=NC(C(Cl)=O)=CC=C1
CAS Datenbank: 3739 · 3739-94-4(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,6-Pyridinedicarbony chloride(3739-94-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (97.8%)

Sicherheitsdaten

F: 10-19-21
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29333990
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45-24/25
hazard_class: 8
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Skin Sens. 1A

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,6-Pyridinedicarboxylic acid chloride was used as the reagent during the synthesis of pyridine-based polyamido-polyester optically active macrocycles. It was used as starting reagent during the synthesis of pyridine-bridged 2,6-bis-carboxamide Schiff′s bases. It was used in the synthesis of N,N′-bis(1-pyrenylmethyl)pyridine-2,6-dicarboxamide.