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28593-24-0

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28593-24-0 Structure

28593-24-0 Structure
IdentificationMore
[Name]

6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
[CAS]

28593-24-0
[Synonyms]

1,2,4-TRIAZOLO[4,3-B]PYRIDAZINE, 6-CHLORO-
6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
AKOS BBS-00002547
6-Chloro[1,2,4]Triazolo[4,3-b]
[Molecular Formula]

C5H3ClN4
[MDL Number]

MFCD00219047
[Molecular Weight]

154.56
[MOL File]

28593-24-0.mol
Chemical PropertiesBack Directory
[Melting point ]

203-204 °C
[density ]

1.71±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[pka]

-0.73±0.30(Predicted)
[Appearance]

Light brown to brown Solid
[InChI]

InChI=1S/C5H3ClN4/c6-4-1-2-5-8-7-3-10(5)9-4/h1-3H
[InChIKey]

OUNXXBYNOUBNPF-UHFFFAOYSA-N
[SMILES]

C12=NN=CN1N=C(Cl)C=C2
[CAS DataBase Reference]

28593-24-0(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

6-Chloro-1,2,4-triazolo[4,3-B]pyridazine is a heterocyclic organic compound that can be used as a pharmaceutical intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[HS Code ]

2933998090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Acetonitrile-->Hydrazinium hydroxide solution-->Diethyl ethoxymethylenemalonate-->3,6-Dichloropyridazine-->3-Chloro-6-hydrazinopyridazine-->Cyclohexanone, O-(diethoxymethyl)oxime
[Preparation Products]

6-Hydrazino[1,2,4]triazolo[4,3-b]pyridazine
Spectrum DetailBack Directory
[Spectrum Detail]

6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE(28593-24-0)MS
6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE(28593-24-0)1HNMR
6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE(28593-24-0)1HNMR
6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE(28593-24-0)IR1
6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE(28593-24-0)IR2
Hazard InformationBack Directory
[Synthesis]

3-Chloro-6-hydrazinopyridazine

17284-97-8

Cyclohexanone, O-(diethoxymethyl)oxime

243116-57-6

6-CHLORO-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE

28593-24-0

The reaction was carried out in isopropanol (10 mL) at reflux for 3 hours with 3-chloro-6-hydrazinopyridazine (1.0 g, 7.0 mmol) and compound (CAS: 243116-57-6, 1.5 g, 7.0 mmol). After completion of the reaction, it was cooled to room temperature and the resulting precipitate was collected by filtration. The resulting solid was recrystallized with dichloromethane to afford 6-chloro-1,2,4-triazolo[4,3-B]pyridazine as a white solid (720 mg, 71% yield).

[References]

[1] Patent: WO2008/69500, 2008, A1. Location in patent: Page/Page column 9-10; 24
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