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CAS No.: | 15115-52-3 |
---|---|
Name: | 4-BROMO-1-PHENYL-1H-PYRAZOLE |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C9H7BrN2 |
Molecular Weight: | 223.072 |
Synonyms: | Pyrazole,4-bromo-1-phenyl- (6CI,7CI,8CI);1-Phenyl-4-bromopyrazole;4-Bromo-1-phenylpyrazole; |
Density: | 1.503 g/cm3 |
Melting Point: | 78-79 °C |
Boiling Point: | 296.238 °C at 760 mmHg |
Flash Point: | 132.96 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 17.82000 |
LogP: | 2.63480 |
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The 4-Bromo-1-phenyl-1H-pyrazole, with the CAS registry number 15115-52-3, is also called 4-Bromo-1-phenylpyrazole. It belongs to the following product categories: Azoles; blocks; Bromides. And the molecular formula of the chemical is C9H7BrN2. What's more, it is a kind of irritant chemical, so you should be cautious while dealing with it.
The characteristics of this chemical are as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.82 Å2; (7)Index of Refraction: 1.64; (8)Molar Refractivity: 53.48 cm3; (9)Molar Volume: 148.4 cm3; (10)Polarizability: 21.2×10-24cm3; (11)Surface Tension: 47.5 dyne/cm; (12)Density: 1.5 g/cm3; (13)Flash Point: 133 °C; (14)Enthalpy of Vaporization: 51.45 kJ/mol; (15)Boiling Point: 296.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00256 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cn(nc1)c2ccccc2
(2)InChI: InChI=1/C9H7BrN2/c10-8-6-11-12(7-8)9-4-2-1-3-5-9/h1-7H
(3)InChIKey: DWPRPWBNLNTEFZ-UHFFFAOYAO