Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-1-phenyl-1H-pyrazole |
EINECS | N/A |
CAS No. | 15115-52-3 | Density | 1.503 g/cm3 |
PSA | 17.82000 | LogP | 2.63480 |
Solubility | N/A | Melting Point |
78-79 °C |
Formula | C9H7BrN2 | Boiling Point | 296.238 °C at 760 mmHg |
Molecular Weight | 223.072 | Flash Point | 132.96 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Pyrazole,4-bromo-1-phenyl- (6CI,7CI,8CI);1-Phenyl-4-bromopyrazole;4-Bromo-1-phenylpyrazole; |
Article Data | 13 |
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