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CAS No.: | 490039-72-0 |
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Name: | 4-IODOPYRIDINE-3-CARBONITRILE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H3IN2 |
Molecular Weight: | 230.008 |
Synonyms: | 4-Iodo-3-pyridinecarbonitrile; |
Density: | 2.043 g/cm3 |
Melting Point: | ca 124℃ |
Boiling Point: | 309.485 °C at 760 mmHg |
Flash Point: | 140.972 °C |
PSA: | 36.68000 |
LogP: | 1.55788 |
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This chemical is called 3-Pyridinecarbonitrile,4-iodo-, and its systematic name is 4-Iodopyridine-3-carbonitrile. With the molecular formula of C6H3IN2, its molecular weight is 230.01. The CAS registry number of this chemical is 490039-72-0. Additionally, its product category is Pyridines.
Other characteristics of the 3-Pyridinecarbonitrile,4-iodo- can be summarised as followings: (1)ACD/LogP: 1.81; (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): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 127; (8)ACD/KOC (pH 7.4): 127; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 42.041 cm3; (15)Molar Volume: 112.61 cm3; (16)Polarizability: 16.667×10-24cm3; (17)Surface Tension: 67.285 dyne/cm; (18)Density: 2.043 g/cm3; (19)Flash Point: 140.972 °C; (20)Enthalpy of Vaporization: 55.024 kJ/mol; (21)Boiling Point: 309.485 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Ic1ccncc1C#N
2.InChI: InChI=1/C6H3IN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
3.InChIKey: CJKHIIQONPNAIP-UHFFFAOYAF