3,4,6-Trichloropyridazine
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3,4,6-Trichloropyridazine
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CAS No:
6082-66-2
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Formula:
C4HCl3N2
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Chemical Name:
3,4,6-Trichloropyridazine
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Synonyms:
6-Trichloropyridazine;3,4,6-TRICHLOROPYRIDAZINE;3,4,6-Trichloro-1,2-diazine;3-METHYL-2-BENZOXAZOLINONE,PLANT STANDARD
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CAS No:
3,4,6-Trichloropyridazine Basic Attributes
183.42
181.920532
1806241-263-5
51080|19451
DTXSID10209663
2933990090
Safety Information
IRRITANT
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (97.87%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 94 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4,6-Trichloropyridazine Use and Manufacturing
To a dry three-necked flask equipped with a refluxing condensor and a ventiduct (connected with a safety flask), 3, 6-dichloropyridazine (purchased from Nanjingtianzunzezhong Chemical Agents Company) and anhydrous aluminum trichloride were added, heated by using external heat source to 120°C to melt reactants, Cl10.1 In 1, 4-dioxane (30 mL) was suspended 3.49 g (80.0 mmol) of 55% sodium hydride, and to the suspension were added a 1, 4-dioxane (30 mL) solution containing 4.40 g (40 mmol) of pyrocatechol, then a 1, 4-dioxane (30 mL) solution containing 7.30 g (39.9 mmol) of 3-Chlorobenzo[5, 6] [1, 4] dioxino[2, 3-c] pyridazine (51) To a suspension of sodium hydride (15.0 g, 375.0 mmol) in 1, 4-dioxane (400 mL) was added benzene-1, 2-diol (36.0 g, 320.0 mmol) and 3, 4, 6-trichloropyridazine (60.0 g, 320.0 mmol) under the ice-bath. The resulting solution was stirred at 100 C. for 10 h before quenched by the addition of saturated NaCl(aq) (100 mL). The resulting solution was extracted with ethyl acetate (3*500 mL) and the organic layers combined. Then the organic layer was washed with brine. The mixture was dried over anhydrous sodium sulfate and filtered. The residue was purified by flash column chromatography with ethyl acetate/petroleum ether (1:3) to afford 3-chlorobenzo[5, 6][1, 4] dioxino[2, 3-c] pyridazine (51) as a white solid (32.0 g, 50%). ESI-MS, m/z=221 [M+H]+.
Computed Properties
Molecular Weight:183.42
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Exact Mass:181.920531
Monoisotopic Mass:181.920531
Topological Polar Surface Area:25.8
Heavy Atom Count:9
Complexity:99.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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