CAS No.6082-66-2,3,4,6-Trichloropyridazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6082-66-2
Name:	3,4,6-Trichloropyridazine
Article Data:	31

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

Synthetic route

: 15456-86-7
4-bromo-1,2-dihydropyridazine-3,6-dione

: 6082-66-2
3,4,6-trichloropyridazine

Conditions

Conditions	Yield
With trichlorophosphate at 110℃; for 5h;	92%
With trichlorophosphate at 100℃; for 3h;	86%
With trichlorophosphate for 4h; Heating;	84%

: 5926-51-2
bromomaleic anhydride

: 6082-66-2
3,4,6-trichloropyridazine

Conditions

Conditions	Yield
Stage #1: bromomaleic anhydride With hydrazine In water for 4h; Reflux; Stage #2: With trichlorophosphate for 3.5h; Reflux;	87%

: 15456-86-7
4-Brom-pyridazin-3,6-diol

: 6082-66-2
3,4,6-trichloropyridazine

Conditions

Conditions	Yield
With trichlorophosphate Reflux;	82%

: 141-30-0
3,6-dichlorpyridazine

: 6082-66-2
3,4,6-trichloropyridazine

Conditions

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

: 5397-64-8
4-chloro-1,2-dihydro-pyridazine-3,6-dione

: 6082-66-2
3,4,6-trichloropyridazine

Conditions

Conditions	Yield
With trichlorophosphate
With trichlorophosphate; phosphorus trichloride
With trichlorophosphate for 10h; Heating / reflux;
With trichlorophosphate

: 15456-86-7
4-bromo-1,2-dihydropyridazine-3,6-dione

A: 6082-66-2
3,4,6-trichloropyridazine

B: 10344-42-0
4-bromo-3,6-dichloro-pyridazine

Conditions

Conditions	Yield
With trichlorophosphate for 3.5h; Heating / reflux;

: 15456-86-7
4-bromo-1,2-dihydropyridazine-3,6-dione

A: 6082-66-2
3,4,6-trichloropyridazine

B: C4H5BrCl2N2

Conditions

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

: 15456-86-7
4-bromo-1,2-dihydropyridazine-3,6-dione

A: 6082-66-2
3,4,6-trichloropyridazine

B: 1003944-29-3
C4HBrCl2N2

C: 10344-42-0
4-bromo-3,6-dichloro-pyridazine

Conditions

Conditions	Yield
With trichlorophosphate for 3.5h; Heating / reflux;

...Expand

: 30480-35-4
pyridazine-3,4,6-triol

: 6082-66-2
3,4,6-trichloropyridazine

Conditions

Conditions	Yield
With trichlorophosphate at 100℃;

: 6082-66-2
3,4,6-trichloropyridazine

: 2516-33-8
Cyclopropylmethanol

: 3,6-dichloro-4-(cyclopropylmethoxy)pyridazine

Conditions

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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Specification

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 %.

3,4,6-Trichloropyridazine can be prepared by 4-Bromo-1,2-dihydro-pyridazine-3,6-dione.

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 %.

3,4,6-Trichloropyridazine 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.

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