3,5-DIMETHYL-4'-(2-CHLOROETHYL)-1H-PYRAZOLE

The 4-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole is an organic compound with the formula C₇H₁₁ClN₂. The IUPAC name of this chemical is 4-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole. With the CAS registry number 79379-05-8, it is also named as 4-(2-chloroethyl)-3,5-dimethylpyrazole.

Physical properties about 4-(2-Chloroethyl)-3,5-dimethyl-1H-pyrazole are: (1)ACD/LogP: 1.89; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.89; (4)ACD/BCF (pH 5.5): 15.02; (5)ACD/BCF (pH 7.4): 16.16; (6)ACD/KOC (pH 5.5): 237.05; (7)ACD/KOC (pH 7.4): 254.98; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.82 Å²; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 42.82 cm³; (14)Molar Volume: 137.7 cm³; (15)Polarizability: 16.97×10^-24cm³; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.151 g/cm³; (18)Flash Point: 168.1 °C; (19)Enthalpy of Vaporization: 52.56 kJ/mol; (20)Boiling Point: 306.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00136 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,1'-cyclopropane-1,1-diyl-bis-ethanone. This reaction will need reagent NH₂NH₂*H₂O, 10 percent NH₄Cl and solvent H₂O at ambient temperature. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCc1c(nnc1C)C
(2)InChI: InChI=1/C7H11ClN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)
(3)InChIKey: CLKLSRDKPNOWAM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C7H11ClN2/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)
(5)Std. InChIKey: CLKLSRDKPNOWAM-UHFFFAOYSA-N