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Pyridazine, 4-bromo-,1-oxide

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Name

Pyridazine, 4-bromo-,1-oxide

EINECS N/A
CAS No. 5753-63-9 Density 1.873 g/cm3
PSA 38.35000 LogP 1.27260
Solubility N/A Melting Point 124.0-125.5 °C
Formula C4H3BrN2O Boiling Point 282.506 °C at 760 mmHg
Molecular Weight 174.98 Flash Point 124.655 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5753-63-9 (4-bromopyridazin-1-oxide) Hazard Symbols N/A
Synonyms

4-bromopyridazin-1-oxide

 

Pyridazine, 4-bromo-,1-oxide Specification

This chemical is called Pyridazine, 4-bromo-,1-oxide, and its systematic name is 4-bromo-1-oxido-pyridazin-1-ium. With the molecular formula of C4H3BrN2O, its molecular weight is 174.98. The CAS registry number of this chemical is 5753-63-9.

Other characteristics of the Pyridazine, 4-bromo-,1-oxide can be summarised as followings: (1)ACD/LogP: 0.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.124; (4)ACD/LogD (pH 7.4): 0.124; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27.84; (8)ACD/KOC (pH 7.4): 27.84; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 38.35 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 33.844 cm3; (15)Molar Volume: 93.404 cm3; (16)Polarizability: 13.417×10-24cm3; (17)Surface Tension: 57.382 dyne/cm; (18)Density: 1.873 g/cm3; (19)Flash Point: 124.655 °C; (20)Enthalpy of Vaporization: 50.043 kJ/mol; (21)Boiling Point: 282.506 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: c1c[n+](ncc1Br)[O-]
2.InChI: InChI=1/C4H3BrN2O/c5-4-1-2-7(8)6-3-4/h1-3H
3.InChIKey: KAJTWMSTNXTSBC-UHFFFAOYAU

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