4-[alpha-(4-Cyanophenyl)-chloromethyl]-benzonitrile supplier

Name
4,4'-(Chloromethylene)-bis-benzonitrile
EINECS
CAS No. 112809-57-1
Article Data1
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₅H₉ClN₂
Boiling Point 443.8 °C at 760 mmHg
Molecular Weight 252.703
Flash Point 195.5 °C
Transport Information
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4,4'-(Chloromethylene)dibenzonitrile;
PSA 47.58000
LogP 3.75816

4-[alpha-(4-Cyanophenyl)-chloromethyl]-benzonitrile 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

Product Name

4,4'-(Chloromethylene)-bis-benzonitrile

4-[alpha-(4-Cyanophenyl)-chloromethyl]-benzonitrile Specification

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