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CAS No.: | 10344-42-0 |
---|---|
Name: | 4-Bromo-3,6-dichloropyridazine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4HBrCl2N2 |
Molecular Weight: | 227.875 |
Synonyms: | Pyridazine, 4-bromo-3,6-dichloro-; |
Density: | 1.965 g/cm3 |
Melting Point: | 80-81 °C |
Boiling Point: | 341.794 °C at 760 mmHg |
Flash Point: | 160.512 °C |
PSA: | 25.78000 |
LogP: | 2.54590 |
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The systematic name of this chemical is 4-Bromo-3,6-dichloropyridazine. With the CAS registry number 10344-42-0, it is also named as Pyridazine, 4-bromo-3,6-dichloro-. In addition, its molecular formula is C4HBrCl2N2 and molecular weight is 227.876.
Physical properties about the 4-Bromo-3,6-dichloropyridazine are: (1)ACD/LogP: 1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 162; (8)ACD/KOC (pH 7.4): 162; (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: 1.605; (14)Molar Refractivity: 39.916 cm3; (15)Molar Volume: 115.967 cm3; (16)Surface Tension: 56.402 dyne/cm; (17)Density: 1.965 g/cm3; (18)Flash Point: 160.512 °C; (19)Enthalpy of Vaporization: 56.231 kJ/mol; (20)Boiling Point: 341.794 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnc(Cl)cc1Br
(2) InChI: InChI=1/C4HBrCl2N2/c5-2-1-3(6)8-9-4(2)7/h1H
(3) InChIKey: XAXKZIUQIROVNV-UHFFFAOYAS