The IUPAC name of 5-Chloro-1,3-dimethylpyrazole is 5-chloro-1,3-dimethylpyrazole. With the CAS registry number 54454-10-3, it is also named as 1H-Pyrazole, 5-chloro-1,3-dimethyl-. The product's categories are Halides; Pyrazoles & Triazoles; Pyrazoles & Triazoles. Besides, it is colorless to light yellow liquid, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilation or exhaust devices. In addition, its molecular formula is C₅H₇ClN₂ and molecular weight is 130.57.

The other characteristics of 5-Chloro-1,3-dimethylpyrazole can be summarized as: (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.

Preparation of 5-Chloro-1,3-dimethylpyrazole: this chemical can be prepared by the reaction of N,N-Dimethyl-hydrazine with 4,4-Dichloro-but-3-en-2-one.



This reaction needs Hexane. The yield is 64 %.

When you are using this chemical, please be cautious about it as the following: it irritates to eyes, respiratory system and skin. You should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule 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