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Name |
1H-Pyrazole,5-bromo-1-methyl- |
EINECS | N/A |
CAS No. | 361476-01-9 | Density | 1.693 g/cm3 |
PSA | 17.82000 | LogP | 1.18260 |
Solubility | N/A | Melting Point |
N/A |
Formula | C4H5BrN2 | Boiling Point | 197.064 °C at 760 mmHg |
Molecular Weight | 160.9999 | Flash Point | 72.982 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-bromo-1-methyl-1H-pyrazole; |
The 1H-Pyrazole,5-bromo-1-methyl- is an organic compound with the formula C4H5BrN2. The IUPAC name of this chemical is 5-bromo-1-methylpyrazole. With the CAS registry number 361476-01-9, the product's category is Halide.
Physical properties about 1H-Pyrazole,5-bromo-1-methyl- are: (1)ACD/LogP: 0.62; (2)ACD/LogD (pH 5.5): 0.619; (3)ACD/LogD (pH 7.4): 0.619; (4)ACD/BCF (pH 5.5): 1.739; (5)ACD/BCF (pH 7.4): 1.739; (6)ACD/KOC (pH 5.5): 51.715; (7)ACD/KOC (pH 7.4): 51.717; (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: 13.006×10-24cm3; (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.
Preparation: this chemical can be prepared by 2-methylpyrazole 1-oxide. This reaction will need reagent POBr3 and solvent CHCl3. The reaction time is 200 min with reaction temperature of 0 - 50 °C. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c(ccn1)Br
(2)InChI: InChI=1/C4H5BrN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
(3)InChIKey: TZARUEALSRVVHC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H5BrN2/c1-7-4(5)2-3-6-7/h2-3H,1H3
(5)Std. InChIKey: TZARUEALSRVVHC-UHFFFAOYSA-N