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| CAS No.: | 145353-53-3 |
|---|---|
| Name: | 3-(4-BROMOPHENYL)-5-METHYL-1H-PYRAZOLE |
| Molecular Structure: | |
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| Formula: | C10H9BrN2 |
| Molecular Weight: | 237.099 |
| Synonyms: | 3-(4-Bromophenyl)-5-methyl-1H-pyrazole; |
| Density: | 1.493g/cm3 |
| Melting Point: | 163-165 °C |
| Boiling Point: | 382.9 °C at 760 mmHg |
| Flash Point: | 185.4 °C |
| PSA: | 28.68000 |
| LogP: | 3.14760 |
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Specification
The 3-(4-Bromophenyl)-5-methyl-1H-pyrazole is an organic compound with the formula C10H9BrN2. The systematic name of this chemical is 3-(4-bromophenyl)-5-methyl-1H-pyrazole. With the CAS registry number 145353-53-3, it is also named as 1H-pyrazole, 3-(4-bromophenyl)-5-methyl-. Besides, it should be stored in a cool, dry place.
Physical properties about 3-(4-Bromophenyl)-5-methyl-1H-pyrazole are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3.59; (3)ACD/LogD (pH 7.4): 3.59; (4)ACD/BCF (pH 5.5): 314.19; (5)ACD/BCF (pH 7.4): 314.48; (6)ACD/KOC (pH 5.5): 2132.97; (7)ACD/KOC (pH 7.4): 2134.9; (8)#H bond acceptors: 2; (9) #H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 55.88 cm3; (14)Molar Volume: 158.7 cm3; (15)Polarizability: 22.15×10-24cm3; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.493 g/cm3; (18)Flash Point: 185.4 °C; (19)Enthalpy of Vaporization: 60.67 kJ/mol; (20)Boiling Point: 382.9 °C at 760 mmHg; (21)Vapour Pressure: 1E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1nnc(c1)C)cc2
(2)InChI: InChI=1/C10H9BrN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
(3)InChIKey: WANDSSMDLLHHCJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H9BrN2/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3,(H,12,13)
(5)Std. InChIKey: WANDSSMDLLHHCJ-UHFFFAOYSA-N