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CAS No.: | 1031929-20-0 |
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Name: | 2-Iodo-4-fluorobenzonitrile |
Molecular Structure: | |
Formula: | C7H3FIN |
Molecular Weight: | 247.01 |
Synonyms: | 2-Iodo-4-fluorobenzonitrile;Benzonitrile, 4-fluoro-2-iodo-; |
Density: | 1.982 g/cm3 |
Boiling Point: | 278.754 °C at 760 mmHg |
Flash Point: | 122.386 °C |
PSA: | 23.79000 |
LogP: | 2.30198 |
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4-Fluoro-2-iodobenzonitrile is an organic compound with the formula C7H3FIN, and its systematic name is the same with the product name. With the CAS registry number 1031929-20-0, it is also named as 2-Iodo-4-fluorobenzonitrile. In addition, the molecular weight is 247.01.
Physical properties of 4-Fluoro-2-iodobenzonitrile are: (1)ACD/LogP: 2.534; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.68; (6)ACD/BCF (pH 7.4): 49.68; (7)ACD/KOC (pH 5.5): 569.78; (8)ACD/KOC (pH 7.4): 569.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 44.355 cm3; (15)Molar Volume: 124.621 cm3; (16)Polarizability: 17.584×10-24cm3; (17)Surface Tension: 51.79 dyne/cm; (18)Density: 1.982 g/cm3; (19)Flash Point: 122.386 °C; (20)Enthalpy of Vaporization: 51.739 kJ/mol; (21)Boiling Point: 278.754 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(F)cc1I
(2)Std. InChI: InChI=1S/C7H3FIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
(3)Std. InChIKey: RGCHISPSDYWBMX-UHFFFAOYSA-N