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| CAS No.: | 68776-62-5 |
|---|---|
| Name: | 4-Cyanopyridazine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C5H3N3 |
| Molecular Weight: | 105.099 |
| Synonyms: | 4-Cyanopyridazine; |
| Density: | 1.226 g/cm3 |
| Melting Point: | 68-73 °C |
| Boiling Point: | 315.273 °C at 760 mmHg |
| Flash Point: | 113.482 °C |
| Appearance: | white powder |
| Transport Information: | UN 3439 |
| PSA: | 49.57000 |
| LogP: | 0.34828 |
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Specification
The 4-Pyridazinecarbonitrile, with the CAS registry number 68776-62-5, is also known as 4-Cyanopyridazine. This chemical's molecular formula is C5H3N3 and molecular weight is 105.0974. What's more, its systematic name is Pyridazine-4-carbonitrile. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant. Besides, you should ensure the work place is well-ventilated.
Physical properties about 4-Pyridazinecarbonitrile are: (1)ACD/LogP: -1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11; (8)ACD/KOC (pH 7.4): 11; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 49.57 Å2; (13)Index of Refraction: 1.541; (14)Molar Refractivity: 26.917 cm3; (15)Molar Volume: 85.713 cm3; (16)Polarizability: 10.671×10-24 cm3; (17)Surface Tension: 65.802 dyne/cm; (18)Density: 1.226 g/cm3; (19)Flash Point: 113.482 °C; (20)Enthalpy of Vaporization: 55.65 kJ/mol; (21)Boiling Point: 315.273 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cnncc1
(2) InChI: InChI=1/C5H3N3/c6-3-5-1-2-7-8-4-5/h1-2,4H
(3) InChIKey: QXOXHGUPISQLPW-UHFFFAOYAH