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| CAS No.: | 89089-18-9 |
|---|---|
| Name: | 3-BROMO-6-CHLOROPYRIDAZINE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C4H2BrClN2 |
| Molecular Weight: | 193.43 |
| Synonyms: | 3-Bromo-6-chloropyridazine;6-Bromo-3-chloropyridazine; |
| EINECS: | 200-001-2 |
| Density: | 1.859g/cm3 |
| Melting Point: | 93.5-94 °C(Solv: ligroine (8032-32-4)) |
| Boiling Point: | 300.8 °C at 760 mmHg |
| Flash Point: | 135.7 °C |
| PSA: | 25.78000 |
| LogP: | 1.89250 |
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Specification
The Pyridazine,3-bromo-6-chloro-, with CAS registry number 89089-18-9, has the systematic name of 3-Bromo-6-chloropyridazine. Besides this, it is also called pyridazine, 3-bromo-6-chloro-. And the chemical formula of this chemical is C4H2BrClN2.
Physical properties of Pyridazine,3-bromo-6-chloro-: (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.81; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 2.43; (6)ACD/BCF (pH 7.4): 2.43; (7)ACD/KOC (pH 5.5): 65.72; (8)ACD/KOC (pH 7.4): 65.72; (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: 1.588; (14)Molar Refractivity: 35.02 cm3; (15)Molar Volume: 104 cm3; (16)Polarizability: 13.88×10-24cm3; (17)Surface Tension: 53.9 dyne/cm; (18)Enthalpy of Vaporization: 51.93 kJ/mol; (19)Vapour Pressure: 0.00196 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nnc1Cl)Br
(2)InChI: InChI=1/C4H2BrClN2/c5-3-1-2-4(6)8-7-3/h1-2H
(3)InChIKey: DXFKQNBEJIACSQ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H2BrClN2/c5-3-1-2-4(6)8-7-3/h1-2H
(5)Std. InChIKey: DXFKQNBEJIACSQ-UHFFFAOYSA-N