Name: 5-(4-Bromophenyl)-1-methyl-1H-pyrazole
SKU: 73387-52-7

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Basic Information

Molecular Structure:
CAS No.:	73387-52-7
Name:	5-(4-Bromophenyl)-1-methyl-1H-pyrazole
Article Data:	7

Formula:	C₁₀H₉BrN₂
Molecular Weight:	237.099
Synonyms:	5-(4-Bromophenyl)-1-methyl-pyrazole;1H-Pyrazole, 5-(4-bromophenyl)-1-methyl-;
Density:	1.44 g/cm³
Melting Point:	58℃
Boiling Point:	331.6 °C at 760 mmHg
Flash Point:	154.4 °C
PSA:	17.82000
LogP:	2.84960

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Specification

The 5-(4-Bromophenyl)-1-methyl-1H-pyrazole is an organic compound with the formula C₁₀H₉BrN₂. The systematic name of this chemical is 5-(4-Bromophenyl)-1-methyl-pyrazole. With the CAS registry number 73387-52-7, it is also named as 1H-Pyrazole, 5-(4-bromophenyl)-1-methyl-. Besides, its molecular weight is 237.10.

The physical properties of 5-(4-Bromophenyl)-1-methyl-1H-pyrazole are: (1)ACD/LogP: 2.83; (2)ACD/LogD (pH 5.5): 2.83; (3)ACD/LogD (pH 7.4): 2.83; (4)#H bond acceptors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å²; (7)Index of Refraction: 1.625; (8)Molar Refractivity: 57.91 cm³; (9)Molar Volume: 163.6 cm³; (10)Polarizability: 22.95×10^-24 cm³; (11)Surface Tension: 43.6 dyne/cm; (12)Density: 1.44 g/cm³; (13)Flash Point: 154.4 °C; (14)Enthalpy of Vaporization: 55.15 kJ/mol; (15)Boiling Point: 331.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000297 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-(4'-Bromophenyl)-1,1-dimethyl-2-pyrazolinium fluoborate. The reaction time is 1 hour with reaction temperature of 296 °C. The yield is about 18%.

5-(4-Bromophenyl)-1-methyl-1H-pyrazole; 3-(4-Bromo-phenyl)-1-methyl-4,5-dihydro-1H-pyrazole; Tetramethyl-ammonium; tetrafluoroborate and 2,6-Bis-(4-bromo-phenyl)-3-methyl-pyridine can be obtained by 3-(4'-Bromophenyl)-1,1-dimethyl-2-pyrazolinium fluoborate

You can still convert the following datas into molecular structure:
(1)SMILES: Cn2nccc2c1ccc(Br)cc1
(2)InChI: InChI=1/C10H9BrN2/c1-13-10(6-7-12-13)8-2-4-9(11)5-3-8/h2-7H,1H3
(3)InChIKey: CVCDEENQBMSJCX-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C10H9BrN2/c1-13-10(6-7-12-13)8-2-4-9(11)5-3-8/h2-7H,1H3
(5)Std. InChIKey: CVCDEENQBMSJCX-UHFFFAOYSA-N