CAS No.18087-73-5,3-Bromoimidazo[1,2-b]pyridazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	18087-73-5
Name:	3-Bromoimidazo[1,2-b]pyridazine
Article Data:	13

Formula:	C₆H₄BrN₃
Molecular Weight:	198.022
Synonyms:	HIM1219;3-Bromoimidazo[1,2-b]pyridazine;3-Brom-imidazo-<1,2-b>pyridazin;
Density:	1.891 g/cm³
Melting Point:	148.0 to 152.0 °C
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	24/25
PSA:	30.19000
LogP:	1.49180

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Specification

This chemical is called Imidazo[1,2-b]pyridazine, 3-bromo-, and its systematic name is 3-Bromimidazo[1,2-b]pyridazin. With the molecular formula of C₆H₄BrN₃, its molecular weight is 198.02. The CAS registry number of this chemical is 18087-73-5.

Other characteristics of the Imidazo[1,2-b]pyridazine, 3-bromo- can be summarised as followings: (1)ACD/LogP: 0.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å²; (13)Index of Refraction: 1.751; (14)Molar Refractivity: 42.715 cm³; (15)Molar Volume: 104.7 cm³; (16)Polarizability: 16.934×10^-24cm³; (17)Surface Tension: 61.834 dyne/cm; (18)Density: 1.891 g/cm³.

Production method of this chemical: The Imidazo[1,2-b]pyridazine, 3-bromo- could be obtained by the reactant of imidazo[1,2-b]pyridazine. This reaction needs the reagent of 3-bromo-6-chloroimidazo<1,2-b>pyridazine hydrobromide-bromine complex. The yield is 70 %. In addition, this reaction should be taken for 30 minutes at ambient temperature.

You can still convert the following datas into molecular structure:
1.SMILES: Brc1cnc2cccnn12
2.InChI: InChI=1/C6H4BrN3/c7-5-4-8-6-2-1-3-9-10(5)6/h1-4H
3.InChIKey: KJQVHOFAWISYDO-UHFFFAOYAG