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CAS No.: | 35857-89-7 |
---|---|
Name: | 6-Chloro-3-pyridazinecarbonitrile |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C5H2ClN3 |
Molecular Weight: | 139.544 |
Synonyms: | 3-Chloro-6-cyanopyridazine;6-Chloro-3-cyanopyridazine;6-Chloro-3-pyridazinecarbonitrile; |
EINECS: | 218-290-4 |
Density: | 1.43g/cm3 |
Melting Point: | 90-91.5 °C(Solv: ethanol (64-17-5)) |
Boiling Point: | 335.1°C at 760mmHg |
Flash Point: | 156.5°C |
PSA: | 49.57000 |
LogP: | 1.00168 |
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The cas register number of 6-Chloro-3-pyridazinecarbonitrile is 35857-89-7. It also can be called as 3-Pyridazinecarbonitrile, 6-chloro- and the Systematic name about this chemical is 6-chloropyridazine-3-carbonitrile.
Physical properties about 6-Chloro-3-pyridazinecarbonitrile are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 22.38; (4)ACD/KOC (pH 7.4): 22.38; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 49.57Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 31.745 cm3; (11)Molar Volume: 97.011 cm3; (12)Surface Tension: 70.653 dyne/cm; (13)Density: 1.438 g/cm3; (14)Flash Point: 156.465 °C; (15)Enthalpy of Vaporization: 57.813 kJ/mol; (16)Boiling Point: 335.103 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: c1cc(nnc1C#N)Cl
2.InChI: InChI=1/C5H2ClN3/c6-5-2-1-4(3-7)8-9-5/h1-2H
3.InChIKey: YMUOLGNUZURDEW-UHFFFAOYAM
4.Std. InChI: InChI=1S/C5H2ClN3/c6-5-2-1-4(3-7)8-9-5/h1-2H.