4-Chloro-1H-imidazo[4,5-c]pyridine

HCID 5373364CAS 2770-01-6

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Grundinformationen

Standard-SMILES: Clc1nccc2[nH]cnc12
InChIKey: DHJMLXBBZRWBPW-UHFFFAOYSA-N
Summenformel: C6H4ClN3
Durchschnittliche Molmasse: 153,57 g/mol
Monoisotopische Masse: 153,00937481

Namen und Bezeichner

Bevorzugter Name: 4-Chloro-1H-imidazo[4,5-c]pyridine
IUPAC: 4-chloro-1H-imidazo[4,5-c]pyridine
Englischer Name: 4-Chloro-1-H-imidazo[4,5-c]pyridine
Summenformel: C6H4ClN3
Molmasse: 153.57

Namen und Synonyme

4-Chloro-1H-imidazo[4,5-c]pyridineDTXSID90418716RefChem:520800DTXCID003695632770-01-64-CHLORO-3H-IMIDAZO[4,5-C]PYRIDINE81053-66-94-Chloroimidazo[4,5-c]pyridine3h-imidazo[4,5-c]pyridine, 4-chloro-MFCD086895821H-Imidazo[4,5-c]pyridine, 4-chloro-NSC611236

Weitere Namen anzeigen

4-CHLORO-1-H-IMIDAZO[44-Chloro-1H-imidazo[4,5-c]pyridine 98%4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE ISO 9001：2015 REACH4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE

4-Chloro-5H-imidazo[4,5-c]pyridineCHEMBL33524SCHEMBL20592414-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINEorb3022710SCHEMBL4309756SCHEMBL4309757SCHEMBL4309760

Datenbank-Bezeichner

CAS: 2770-01-6
PubChem CID: 5373364
DTXSID: DTXSID90418716
ChEMBL: CHEMBL33524
EC Number: 810-345-6
Nikkaji: J2.339.778A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 41,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 130

Physikochemische Eigenschaften

Schmelzpunkt: 179 · 179-181 °C
Siedepunkt: 455.4 · 455.4±25.0 °C(Predicted)
Dichte: 1.531 · 1.531±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
Aggregatzustand: Solid
pka: 7.93 · 7.93±0.40(Predicted)
Farbe: Pale Beige to Pale Brown
InChI: InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H,9,10)
InChIKey: DHJMLXBBZRWBPW-UHFFFAOYSA-N
SMILES: C1(Cl)=NC=CC2N=CNC1=2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 19 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

hs_code: 2933399990

Chemie und Industrie

Anwendungen

Verwenden4-Chloro-1H-imidazo[4,5-c]pyridine is used as a reagent in the synthesis of 3-bromo-3-deazaneplanocin and 3-bromo-3-deazaaristeromycin, compounds which exhibit antiviral activity.