1H-Pyrazole,5-chloro-1,3-dimethyl- (54454-10-3)

The 5-Chloro-1,3-dimethylpyrazole with cas registry number of 54454-10-3, belongs to the following product categories: (1)Halides; (2)Pyrazoles & Triazoles; (3)Pyrazoles & Triazoles. It has the systematic name of 5-chloro-1,3-dimethyl-1H-pyrazole. And its IUPAC name is 5-chloro-1,3-dimethylpyrazole.

Physical properties about this chemical are: (1)ACD/LogP: 1.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 110.13; (8)ACD/KOC (pH 7.4): 110.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 34.27 cm³; (15)Molar Volume: 107.2 cm³; (16)Polarizability: 13.58×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Enthalpy of Vaporization: 37.8 kJ/mol; (19)Vapour Pressure: 3.55 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 5-Chloro-1,3-dimethylpyrazole irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
(1)SMILES: Clc1cc(nn1C)C;
(2)InChI: InChI=1/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3;
(3)InChIKey: DDUSLFAWARYAPR-UHFFFAOYAO;
(4)Std. InChI: InChI=1S/C5H7ClN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3;
(5)Std. InChIKey: DDUSLFAWARYAPR-UHFFFAOYSA-N