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| CAS No.: | 88491-61-6 |
|---|---|
| Name: | Pyridazine, 3-bromo- (9CI) |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H3BrN2 |
| Molecular Weight: | 158.985 |
| Synonyms: | Pyridazine, 3-bromo- (9CI);3-bromopyridazine;3-Bromopyridazine ,97%;Pyridazine, 3-broMo-;3-broMopyridazine hydrobroMide |
| Density: | 1.727 g/cm3 |
| Melting Point: | 73-74 °C |
| Boiling Point: | 269.972 °C at 760 mmHg |
| Flash Point: | 117.075 °C |
| PSA: | 25.78000 |
| LogP: | 1.23910 |
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Specification
This chemical is called 3-Bromopyridazine. With the molecular formula of C4H3BrN2, its molecular weight is 158.98. The CAS registry number of this chemical is 88491-61-6. Additionally, its product category is Halide.
Other characteristics of the 3-Bromopyridazine can be summarised as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24; (8)ACD/KOC (pH 7.4): 24; (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: 1.568; (14)Molar Refractivity: 30.125 cm3; (15)Molar Volume: 92.066 cm3; (16)Polarizability: 11.943×10-24cm3; (17)Surface Tension: 51.028 dyne/cm; (18)Density: 1.727 g/cm3; (19)Flash Point: 117.075 °C; (20)Enthalpy of Vaporization: 48.766 kJ/mol; (21)Boiling Point: 269.972 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cccnn1
2.InChI: InChI=1/C4H3BrN2/c5-4-2-1-3-6-7-4/h1-3H
3.InChIKey: ILYSUJOMLYXAOC-UHFFFAOYAV