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| CAS No.: | 112809-57-1 |
|---|---|
| Name: | 4,4'-(Chloromethylene)-bis-benzonitrile |
| Molecular Structure: | |
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| Formula: | C15H9ClN2 |
| Molecular Weight: | 252.703 |
| Synonyms: | 4,4'-(Chloromethylene)dibenzonitrile; |
| Density: | 1.27 g/cm3 |
| Boiling Point: | 443.8 °C at 760 mmHg |
| Flash Point: | 195.5 °C |
| Appearance: | White solid |
| PSA: | 47.58000 |
| LogP: | 3.75816 |
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Specification
The Benzonitrile,4,4'-(chloromethylene)bis- with the CAS number 112809-57-1 is also called 4,4'-(Chloromethylene)dibenzonitrile. Its molecular formula is C15H9ClN2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Benzonitrile,4,4'-(chloromethylene)bis- are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.83; (4)ACD/LogD (pH 7.4): 2.83; (5)ACD/BCF (pH 5.5): 83.5; (6)ACD/BCF (pH 7.4): 83.5; (7)ACD/KOC (pH 5.5): 826.32; (8)ACD/KOC (pH 7.4): 826.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.58 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 70.03 cm3; (15)Molar Volume: 198.3 cm3; (16)Polarizability: 27.76×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 70.15 kJ/mol; (19)Vapour Pressure: 4.51×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClC(c1ccc(C#N)cc1)c2ccc(C#N)cc2
(2)InChI: InChI=1/C15H9ClN2/c16-15(13-5-1-11(9-17)2-6-13)14-7-3-12(10-18)4-8-14/h1-8,15H
(3)InChIKey: GMPXGIUUGTZYAZ-UHFFFAOYAE