1H-Pyrazole,5-bromo-1-methyl- supplier

Name
1H-Pyrazole,5-bromo-1-methyl-(9CI)
EINECS
CAS No. 361476-01-9
Density 1.693 g/cm³
Solubility
Melting Point
Formula C₄H₅BrN₂
Boiling Point 197.064 °C at 760 mmHg
Molecular Weight 160.9999
Flash Point 72.982 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 5-bromo-1-methyl-1H-pyrazole;
PSA 17.82000
LogP 1.18260

1H-Pyrazole,5-bromo-1-methyl- Specification

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

Product Name

1H-Pyrazole,5-bromo-1-methyl-(9CI)

1H-Pyrazole,5-bromo-1-methyl- Specification

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