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CAS No.: | 151049-87-5 |
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Name: | 1H-Pyrazole,3-bromo-1-methyl-(9CI) |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C4H5BrN2 |
Molecular Weight: | 161.001 |
Synonyms: | 3-Bromo-1-methyl-1H-pyrazole;3-Bromo-1-methylpyrazole; |
Density: | 1.693 g/cm3 |
Boiling Point: | 197.064 °C at 760 mmHg |
Flash Point: | 72.982 °C |
PSA: | 17.82000 |
LogP: | 1.18260 |
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The 1H-Pyrazole,3-bromo-1-methyl- is an organic compound with the formula C4H5BrN2. The IUPAC name of this chemical is 3-Bromo-1-methylpyrazole. With the CAS registry number 151049-87-5, it is also named as 3-Bromo-1-methyl-1H-pyrazole. The product's categories are Halide; Building Blocks; Pyrazole. Besides, its molecular weight is 160.9999.
Physical properties about 1H-Pyrazole,3-bromo-1-methyl- are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 51; (7)ACD/KOC (pH 7.4): 51; (8)#H bond acceptors: 2; (9)Polar Surface Area: 17.82 Å2; (10)Index of Refraction: 1.606; (11)Molar Refractivity: 32.807 cm3; (12)Molar Volume: 95.117 cm3; (13)Polarizability: 13.006×10-24 cm3; (14)Surface Tension: 43.226 dyne/cm; (15)Density: 1.693 g/cm3; (16)Flash Point: 72.982 °C; (17)Enthalpy of Vaporization: 41.555 kJ/mol; (18)Boiling Point: 197.064 °C at 760 mmHg; (19)Vapour Pressure: 0.543 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C4H5BrN2/c1-7-3-2-4(5)6-7/h2-3H,1H3
(2)InChIKey: ZGEVJEQMVRIEPX-UHFFFAOYAU
(3)Std. InChI: InChI=1S/C4H5BrN2/c1-7-3-2-4(5)6-7/h2-3H,1H3
(4)Std. InChIKey: ZGEVJEQMVRIEPX-UHFFFAOYSA-N