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CAS No.: | 6082-66-2 |
---|---|
Name: | 3,4,6-Trichloropyridazine |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C4HCl3N2 |
Molecular Weight: | 183.424 |
Synonyms: | T6NNJ CG DG FG;NSC 19451;NSC 51080; |
EINECS: | 629-902-8 |
Density: | 1.642 g/cm3 |
Melting Point: | 55.0 to 59.0 °C |
Boiling Point: | 315.521 °C at 760 mmHg |
Flash Point: | 173.901 °C |
PSA: | 25.78000 |
LogP: | 2.43680 |
4-bromo-1,2-dihydropyridazine-3,6-dione
3,4,6-trichloropyridazine
Conditions | Yield |
---|---|
With trichlorophosphate at 110℃; for 5h; | 92% |
With trichlorophosphate at 100℃; for 3h; | 86% |
With trichlorophosphate for 4h; Heating; | 84% |
Conditions | Yield |
---|---|
Stage #1: bromomaleic anhydride With hydrazine In water for 4h; Reflux; Stage #2: With trichlorophosphate for 3.5h; Reflux; | 87% |
4-Brom-pyridazin-3,6-diol
3,4,6-trichloropyridazine
Conditions | Yield |
---|---|
With trichlorophosphate Reflux; | 82% |
Conditions | Yield |
---|---|
With chlorine; aluminum (III) chloride at 120℃; for 3h; Neat (no solvent); | 55% |
With aluminum (III) chloride; chlorine at 140℃; for 4h; | |
With chlorine; aluminium trichloride | |
With aluminum (III) chloride; chlorine at 140℃; for 4h; | 44.1 g |
Conditions | Yield |
---|---|
With trichlorophosphate | |
With trichlorophosphate; phosphorus trichloride | |
With trichlorophosphate for 10h; Heating / reflux; | |
With trichlorophosphate |
4-bromo-1,2-dihydropyridazine-3,6-dione
A
3,4,6-trichloropyridazine
B
4-bromo-3,6-dichloro-pyridazine
Conditions | Yield |
---|---|
With trichlorophosphate for 3.5h; Heating / reflux; |
Conditions | Yield |
---|---|
Stage #1: 4-bromo-1,2-dihydropyridazine-3,6-dione With trichlorophosphate for 3.5h; Heating / reflux; Stage #2: With sodium hydrogencarbonate In water |
4-bromo-1,2-dihydropyridazine-3,6-dione
A
3,4,6-trichloropyridazine
B
C4HBrCl2N2
C
4-bromo-3,6-dichloro-pyridazine
Conditions | Yield |
---|---|
With trichlorophosphate for 3.5h; Heating / reflux; |
pyridazine-3,4,6-triol
3,4,6-trichloropyridazine
Conditions | Yield |
---|---|
With trichlorophosphate at 100℃; |
Conditions | Yield |
---|---|
Stage #1: Cyclopropylmethanol With sodium hydride In tetrahydrofuran at 0℃; for 0.166667h; Stage #2: 3,4,6-trichloropyridazine In tetrahydrofuran at 0 - 20℃; for 1h; | 100% |
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The 3,4,6-Trichloropyridazine, with the CAS registry number 6082-66-2, is also known as Pyridazine, 3,4,6-trichloro-. This chemical's molecular formula is C4HCl3N2 and molecular weight is 183.42. What's more, its IUPAC name is the same with product name.
Physical properties about 3,4,6-Trichloropyridazine are: (1)ACD/LogP: 1.359; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.35; (6)ACD/BCF (pH 7.4): 6.35; (7)ACD/KOC (pH 5.5): 130.74; (8)ACD/KOC (pH 7.4): 130.74; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 37.12 cm3; (15)Molar Volume: 111.733 cm3; (16)Surface Tension: 54.21 dyne/cm; (17)Density: 1.642 g/cm3; (18)Flash Point: 173.901 °C; (19)Enthalpy of Vaporization: 53.459 kJ/mol; (20)Boiling Point: 315.521 °C at 760 mmHg; (21)Vapour Pressure: 0.0010 mmHg at 25 °C.
Preparation of 3,4,6-Trichloropyridazine: this chemical can be prepared by 4-Bromo-1,2-dihydro-pyridazine-3,6-dione. The reaction occurs with reagent POCl3 and other condition of heating for 4 hours. The yield is 84 %.
Uses of 3,4,6-Trichloropyridazine: it is used to produce other chemicals. For example, it can react with 4,5-Dimethyl-benzene-1,2-diamine to get N-(3,6-Dichloro-pyridazin-4-yl)-4,5-dimethyl-benzene-1,2-diamine. This reaction needs reagent anhydrous sodium acetate and solvent ethanol. The yield is 55 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnc(Cl)cc1Cl
(2) InChI: InChI=1S/C4HCl3N2/c5-2-1-3(6)8-9-4(2)7/h1H
(3) InChIKey: LJDQXQOPXOLCHL-UHFFFAOYSA-N