1H-Pyrazole,4-chloro-1-methyl- (35852-81-4)

The 4-Chloro-1-methylpyrazole with the cas number 35852-81-4 is also called 1H-Pyrazole,4-chloro-1-methyl-. The systematic name is 4-chloro-1-methyl-1H-pyrazole. Its molecular formula is C₄H₅ClN₂. This chemical is irritant. While using this chemical, you should be very cautious.

The properties of the chemical are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 62; (8)ACD/KOC (pH 7.4): 62; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82Ų; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 29.851 cm³; (15)Molar Volume: 91.864 cm³; (16)Polarizability: 11.834×10^-24cm³; (17)Surface Tension: 38.746 dyne/cm; (18)Enthalpy of Vaporization: 38.917 kJ/mol; (19)Vapour Pressure: 2.045 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cnn(C)c1
(2)InChI: InChI=1/C4H5ClN2/c1-7-3-4(5)2-6-7/h2-3H,1H3
(3)InChIKey: PGNUBDXGTOZIHC-UHFFFAOYAB