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40020-06-2

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Basic Information
CAS No.: 40020-06-2
Name: 4,6-DIBROMO-3-PHENYL-PYRIDAZINE
Article Data: 3
Molecular Structure:
Molecular Structure of 40020-06-2 (4,6-DIBROMO-3-PHENYL-PYRIDAZINE)
Formula: C10H6Br2N2
Molecular Weight: 313.98
Synonyms: 4,6-DIBROMO-3-PHENYL-PYRIDAZINE
Density: 1.809 g/cm3
Boiling Point: 421.4 °C at 760 mmHg
Flash Point: 208.7 °C
PSA: 25.78000
LogP: 3.66860
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Specification

The Pyridazine,4,6-dibromo-3-phenyl- has CAS registry number 40020-06-2. This chemical's molecular formula is C10H6Br2N2 and molecular weight is 313.98. What's more, its systematic name is 4,6-dibromo-3-phenylpyridazine.

Physical properties of Pyridazine,4,6-dibromo-3-phenyl- are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 40.25; (6)ACD/BCF (pH 7.4): 40.25; (7)ACD/KOC (pH 5.5): 490.12; (8)ACD/KOC (pH 7.4): 490.12; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.638; (14)Molar Refractivity: 62.4 cm3; (15)Molar Volume: 173.5 cm3; (16)Polarizability: 24.74×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.809 g/cm3; (19)Flash Point: 208.7 °C; (20)Enthalpy of Vaporization: 64.93 kJ/mol; (21)Boiling Point: 421.4 °C at 760 mmHg; (22)Vapour Pressure: 6.39E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(Br)c(nn1)c2ccccc2
(2)Std. InChI: InChI=1S/C10H6Br2N2/c11-8-6-9(12)13-14-10(8)7-4-2-1-3-5-7/h1-6H
(3)Std. InChIKey: LINXZJNHOAOKNW-UHFFFAOYSA-N