2,5-DIMETHYL-1-PHENYLPYRROLE

This chemical is called 1H-pyrrole, 2,5-dimethyl-1-phenyl-, and its systematic name is 2,5-dimethyl-1-phenyl-1H-pyrrole. With the molecular formula of C₁₂H₁₃N, its molecular weight is 171.24. The CAS registry number of this chemical is 83-24-9. Additionally, this chemical should be kept cold.

Other characteristics of the 1H-pyrrole, 2,5-dimethyl-1-phenyl- can be summarised as followings: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 645.83; (6)ACD/BCF (pH 7.4): 645.83; (7)ACD/KOC (pH 5.5): 3573.42; (8)ACD/KOC (pH 7.4): 3573.42; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.546; (14)Molar Refractivity: 56.33 cm³; (15)Molar Volume: 177.7 cm³; (16)Polarizability: 22.33×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 0.96 g/cm³; (19)Flash Point: 120.9 °C; (20)Enthalpy of Vaporization: 49.4 kJ/mol; (21)Boiling Point: 276.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00817 mmHg at 25°C.

Production method of this chemical: The 1H-pyrrole, 2,5-dimethyl-1-phenyl- could be obtained by the reactants of hexane-2,5-dione and aniline. This reaction needs the reagent of montmorillonite KSF. The yield is 96 %. In addition, this reaction should be taken for 10 hours at the temperature of 20 °C.

Uses of this chemical: The aniline could be obtained by the reactant of 1H-pyrrole, 2,5-dimethyl-1-phenyl-. This reaction needs the reagents of H₂NOH*HCl, KOH, and the solvents of ethanol, H₂O. The yield is 91 %. This reaction should be taken for 1 day, and 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 contacting with skin and if swallowed. Wear suitable protective clothing and gloves when you use it.

You can still convert the following datas into molecular structure: 
1.SMILES: c1ccc(cc1)n2c(ccc2C)C
2.InChI: InChI=1/C12H13N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h3-9H,1-2H3
3.InChIKey: JNXIFVSGXLGULI-UHFFFAOYAN