3 6-DIBUTOXY-1 2-BENZENEDICARBONITRILE

This chemical is called 1,2-Benzenedicarbonitrile,3,6-dibutoxy-, and its systematic name is 3,6-dibutoxybenzene-1,2-dicarbonitrile. With the molecular formula of C₁₆H₂₀N₂O₂, its molecular weight is 272.34. The CAS registry number of this chemical is 75942-37-9.

Other characteristics of the 1,2-Benzenedicarbonitrile,3,6-dibutoxy- can be summarised as followings: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1532.59; (6)ACD/BCF (pH 7.4): 1532.59; (7)ACD/KOC (pH 5.5): 6633.24; (8)ACD/KOC (pH 7.4): 6633.24; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 66.04 Å²; (13)Index of Refraction: 1.516; (14)Molar Refractivity: 76.4 cm³; (15)Molar Volume: 252.6 cm³; (16)Polarizability: 30.28×10^-24cm³; (17)Surface Tension: 46.1 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 173.7 °C; (20)Enthalpy of Vaporization: 70.57 kJ/mol; (21)Boiling Point: 447.4 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-08 mmHg at 25°C.

Production method of this chemical: The 1,2-Benzenedicarbonitrile,3,6-dibutoxy- could be obtained by the reactants of 1-iodo-butane and 3,6-dihydroxy-phthalonitrile. This reaction needs the reagent of potassium, carbonate, and the solvent of acetone. The yield is 50 %. In addition, this reaction should be taken for 60 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful by inhalation, in contact with skin and if swallowed. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1c(OCCCC)ccc(OCCCC)c1C#N
2.InChI: InChI=1/C16H20N2O2/c1-3-5-9-19-15-7-8-16(20-10-6-4-2)14(12-18)13(15)11-17/h7-8H,3-6,9-10H2,1-2H3
3.InChIKey: RJFAMAFEWDBSLX-UHFFFAOYAR