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HCID 12379801Erstellt: 24. Oktober 2026

Methyl 6-chloropyridazine-3-carboxylate

KML-38 · CML-037 · AKOS 91997 · TERT-BUTYL 4-(2-AM... · Methyl 3-chloropyridazine... · 6-Chloro-3-(methoxycarbonyl)pyridazine · Methyl 6-chloropyridazine-3-carboxylate · Methyl 3-chloropyridazine-6-carboxylate

https://huagongshe.com/de/chemical/12379801

Molekülstruktur von Methyl 6-chloropyridazine-3-carboxylate

Identifikatoren & physikalische Daten

CAS No.65202-50-8
SummenformelC6H5ClN2O2
Durchschnittliche Molmasse172,57 g/mol
Monoisotopische Masse172,00395508 g/mol
SMILESCOC(=O)c1ccc(Cl)nn1
InChIKeyFPKXYXKLOWAIOX-UHFFFAOYSA-N
PubChem CID12379801
EC No.691-623-2
DTXSIDDTXSID10495387

Chemische & physikalische Eigenschaften

XLogP-0,2
Polarare Oberfläche (TPSA)52,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren4
Frei drehbare Bindungen2
Schwere Atome11
Formalladung0
Komplexität154
Schmelzpunkt145 °C(Solv: ligroine (8032-32-4))
Siedepunkt310.9±22.0 °C(Predicted)
Dichte1.372±0.06 g/cm3(Predicted)
Lagerbedingungenunder inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustandpowder
pKa (Säurekonstante)-1.06±0.10(Predicted)
FarbeGrey
InChIInChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3
InChIKeyFPKXYXKLOWAIOX-UHFFFAOYSA-N
SMILESC1(C(OC)=O)=NN=C(Cl)C=C1

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (60%)
Zollcode29335990
GefahrensymboleXi
GefahrenklasseIRRITANT