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1H-Pyrazole,5-bromo-1,3-dimethyl- (5744-70-7)

Identification
Name:1H-Pyrazole,5-bromo-1,3-dimethyl-
Synonyms:Pyrazole,5-bromo-1,3-dimethyl- (7CI,8CI);5-Bromo-1,3-dimethylpyrazole;
CAS:5744-70-7
Molecular Formula: C5H7BrN2
Molecular Weight: 175.03
InChI: InChI=1/C5H7BrN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
Molecular Structure: (C5H7BrN2) Pyrazole,5-bromo-1,3-dimethyl- (7CI,8CI);5-Bromo-1,3-dimethylpyrazole;
Properties
Density:1.584 g/cm3
Refractive index:1.589
Specification:

The 5-Bromo-1,3-dimethyl-1H-pyrazole is an organic compound with the formula C5H7BrN2. The IUPAC name of this chemical is 5-bromo-1,3-dimethylpyrazole. With the CAS registry number 5744-70-7, it is also named as 1H-Pyrazole, 5-bromo-1,3-dimethyl-. The product's categories are Heterocycle; Building Blocks; Pyrazole.

Physical properties about 5-Bromo-1,3-dimethyl-1H-pyrazole are: (1)ACD/LogP: 0.65; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 137; (7)ACD/KOC (pH 7.4): 137; (8)#H bond acceptors: 2; (9)Polar Surface Area: 17.82 Å2; (10)Index of Refraction: 1.589; (11)Molar Refractivity: 37.231 cm3; (12)Molar Volume: 110.471 cm3; (13)Polarizability: 14.759×10-24cm3; (14)Surface Tension: 38.394 dyne/cm; (15)Density: 1.584 g/cm3; (16)Flash Point: 81.863 °C; (17)Enthalpy of Vaporization: 42.977 kJ/mol; (18)Boiling Point: 211.748 °C at 760 mmHg; (19)Vapour Pressure: 0.261 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(Br)n(C)n1
(2)InChI: InChI=1/C5H7BrN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
(3)InChIKey: MGDIZQXZNAILTO-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C5H7BrN2/c1-4-3-5(6)8(2)7-4/h3H,1-2H3
(5)Std. InChIKey: MGDIZQXZNAILTO-UHFFFAOYSA-N

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