2,3-Dichloropyridine

HCID 16988CAS 2402-77-9

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Grundinformationen

Standard-SMILES: Clc1cccnc1Cl
InChIKey: MAKFMOSBBNKPMS-UHFFFAOYSA-N
Summenformel: C5H3Cl2N
Durchschnittliche Molmasse: 147,99 g/mol
Monoisotopische Masse: 146,96425446

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2,3-Dichloropyridine
IUPAC: 2,3-dichloropyridine
Englischer Name: 2,3-Dichloropyridine
Summenformel: C5H3Cl2N
Molmasse: 147.99

Namen und Synonyme

2,3-DICHLOROPYRIDINE2402-77-9Pyridine, 2,3-dichloro-G8S8JY2HE2DTXSID7051894NSC-298535RefChem:81619DTXCID5030456219-281-8MFCD00006229dichloropyridineBRN 0109811

Weitere Namen anzeigen

3-dichloropydine2,3-dichloropydine3-Dichloropyridine2,3-dichloro-pyridin2,3-Dichloropyridine>2,3-Dichloropyridine,99%Rp-8-Br-PET-cGMPS sodium2,3- twochlorine pyridine

2,3-Dichloropyridine, 99%PYRIDINE,2,3-DICHLOROEC 219-281-82,3-Dichloropyridine(Monolabeled)STR004832,3-dichloro-pyridineAB00641AC-5932

Datenbank-Bezeichner

CAS: 2402-77-9
PubChem CID: 16988
DTXSID: DTXSID7051894
ChEMBL: CHEMBL4635484
UNII: G8S8JY2HE2
EC Number: 219-281-8
Nikkaji: J51.303B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
Polarare Oberfläche (TPSA): 12,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 76,8

Physikochemische Eigenschaften

Schmelzpunkt: 64 · 64-67 °C (lit.)
Siedepunkt: 242.42 °C · 242.42°C (rough estimate)
Dichte: 1.5159 · 1.5159 (rough estimate)
Brechungsindex: 1.55 · 1.5500 (estimate)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Crystalline Powder
pka: -0.63 · -0.63±0.10(Predicted)
Farbe: White to slightly beige
Wasserlöslichkeit: slightly soluble
BRN: 109811 · 109811
InChI: InChI=1S/C5H3Cl2N/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey: MAKFMOSBBNKPMS-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC=C1Cl
CAS Datenbank: 2402 · 2402-77-9(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 111 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 24-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12679

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN2811
hs_code: 29333999
RTECS-Nr.: US8050000
risk_code: 36/37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-37/39
hazard_class: 6.1
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden2,3-Dichloropyridine is used as a reagent for the preparation of substituted 3-(5-membered heterocycle-carboxamido)pyridine derivatives for treatment of autoimmune and inflammatory diseases. Also in the synthesis, crystal structure and biological activity of novel anthranilic Diamide insecticide with propargyl ether.