1H-Pyrazole,3,5-dimethyl- (67-51-6)

The IUPAC name of 3,5-Dimethylpyrazole is 3,5-dimethyl-1H-pyrazole. With the CAS registry number 67-51-6, it is also named as 3,5-Dwumetylopirazolu; Pyrazole, 3,5-dimethyl-. The product's categories are building blocks, heterocyclic building blocks, pyrazoles, gravimetric reagents building blocks, analytical reagents, analytical/chromatography, diketene derivatives and pyrazolones. Furthermore, it is white crystal powder which is stable under normal temperatures and pressures.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.88; (6)ACD/BCF (pH 7.4): 5.13; (7)ACD/KOC (pH 5.5): 106.74; (8)ACD/KOC (pH 7.4): 112.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 28.42 cm³; (14)Molar Volume: 93.5 cm³; (15)Polarizability: 11.26×10^-24 cm³; (16)Surface Tension: 40.7 dyne/cm; (17)Enthalpy of Vaporization: 43.59 kJ/mol; (18)Vapour Pressure: 0.19 mmHg at 25°C; (19)Exact Mass: 96.068748; (20)MonoIsotopic Mass: 96.068748; (21)Topological Polar Surface Area: 28.7; (22)Heavy Atom Count: 7.

Preparation of 3,5-Dimethylpyrazole: It can be obtained by pentane-2,4-dione with the reagent aq. hydrazine hydrate in the solvent CHCl₃.   

Uses of 3,5-Dimethylpyrazole: It is used as intermediate for the manufacture of organic dyestuffs and photochemicals. For example: it can react with formaldehyde to get (3,5-dimethyl-pyrazol-1-yl)-methanol in ethanol.

  

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES: n1c(cc(n1)C)C;
2. InChI: InChI=1/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7).

The following are the toxicity data which has been tested. 

The IUPAC name of 3,5-Dimethylpyrazole is 3,5-dimethyl-1H-pyrazole. With the CAS registry number 67-51-6, it is also named as 3,5-Dwumetylopirazolu; Pyrazole, 3,5-dimethyl-. The product's categories are building blocks, heterocyclic building blocks, pyrazoles, gravimetric reagents building blocks, analytical reagents, analytical/chromatography, diketene derivatives and pyrazolones. Furthermore, it is white crystal powder which is stable under normal temperatures and pressures.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.22; (4)ACD/LogD (pH 7.4): 1.24; (5)ACD/BCF (pH 5.5): 4.88; (6)ACD/BCF (pH 7.4): 5.13; (7)ACD/KOC (pH 5.5): 106.74; (8)ACD/KOC (pH 7.4): 112.17; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.519; (13)Molar Refractivity: 28.42 cm³; (14)Molar Volume: 93.5 cm³; (15)Polarizability: 11.26×10^-24 cm³; (16)Surface Tension: 40.7 dyne/cm; (17)Enthalpy of Vaporization: 43.59 kJ/mol; (18)Vapour Pressure: 0.19 mmHg at 25°C; (19)Exact Mass: 96.068748; (20)MonoIsotopic Mass: 96.068748; (21)Topological Polar Surface Area: 28.7; (22)Heavy Atom Count: 7.

Preparation of 3,5-Dimethylpyrazole: It can be obtained by pentane-2,4-dione with the reagent aq. hydrazine hydrate in the solvent CHCl₃.   

Uses of 3,5-Dimethylpyrazole: It is used as intermediate for the manufacture of organic dyestuffs and photochemicals. For example: it can react with formaldehyde to get (3,5-dimethyl-pyrazol-1-yl)-methanol in ethanol.

  

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES: n1c(cc(n1)C)C;
2. InChI: InChI=1/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7).

The following are the toxicity data which has been tested.