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14521-80-3

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Basic Information
CAS No.: 14521-80-3
Name: 3-BROMO-1H-PYRAZOLE
Article Data: 19
Molecular Structure:
Molecular Structure of 14521-80-3 (3-BROMO-1H-PYRAZOLE)
Formula: C3H3BrN2
Molecular Weight: 146.974
Synonyms: Pyrazole,3-bromo- (8CI);3-Bromopyrazole;
EINECS: 687-430-8
Density: 1.905 g/cm3
Melting Point: 60-65°C
Boiling Point: 264.127 °C at 760 mmHg
Flash Point: 113.54 °C
Hazard Symbols: Xn
Risk Codes: 22-36/37/38
Safety: 26-37/39
PSA: 28.68000
LogP: 1.17220
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  • 3-BROMO-1H-PYRAZOLE CAS No.14521-80-3

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    3-BROMO-1H-PYRAZOLE CAS No.14521-80-3

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Chemistry

Empirical Formula: C3H3BrN2
Molecular Weight: 146.9733
Nominal Mass: 146 Da
Average Mass: 146.9733 Da
Monoisotopic Mass: 145.947953 Da 
Index of Refraction: 1.601
Molar Refractivity: 26.46 cm3
Molar Volume: 77.1 cm3
Surface Tension: 56.4 dyne/cm
Density: 1.904 g/cm3
Flash Point: 113.5 °C
Enthalpy of Vaporization: 48.17 kJ/mol
Boiling Point: 264.1 °C at 760 mmHg
Vapour Pressure: 0.0162 mmHg at 25 °C
Structure of 3-Bromo-1H-pyrazole (CAS NO.14521-80-3):
                          
Systematic Name: 5-Bromo-1H-pyrazole 
SMILES: Brc1ccnn1 
InChI: InChI=1/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) 
InChIKey: XHZWFUVEKDDQPF-UHFFFAOYAW
Std. InChI: InChI=1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6) 
Std. InChIKey: XHZWFUVEKDDQPF-UHFFFAOYSA-N
Product Category of 3-Bromo-1H-pyrazole (CAS NO.14521-80-3): Halide

Specification

 3-Bromo-1H-pyrazole (CAS NO.14521-80-3) also can be called 1H-Pyrazole, 3-bromo- ; and 5-Bromo-1H-pyrazole .