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Name |
1H-Pyrazole,1-(2-bromophenyl)- |
EINECS | N/A |
CAS No. | 87488-84-4 | Density | 1.5 g/cm3 |
PSA | 17.82000 | LogP | 2.63480 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7BrN2 | Boiling Point | 296.6 °C at 760 mmHg |
Molecular Weight | 223.072 | Flash Point | 133.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(2-Bromophenyl)-1H-pyrazole; |
Article Data | 6 |
This chemical is called 1H-Pyrazole, 1-(2-bromophenyl)-, and it can also be named as 1-(2-Bromophenyl)-1H-pyrazole. With the molecular formula of C9H7BrN2, its molecular weight is 87488-84-4. The CAS registry number of this chemical is 87488-84-4.
Other characteristics of the 1H-Pyrazole, 1-(2-bromophenyl)- can be summarised as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 92.11; (6)ACD/BCF (pH 7.4): 92.11; (7)ACD/KOC (pH 5.5): 886.49; (8)ACD/KOC (pH 7.4): 886.49; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å2; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 53.48 cm3; (15)Molar Volume: 148.4 cm3; (16)Polarizability: 21.2×10-24cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 133.2 °C; (20)Enthalpy of Vaporization: 51.49 kJ/mol; (21)Boiling Point: 296.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00251 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccccc1n2nccc2
2.InChI: InChI=1/C9H7BrN2/c10-8-4-1-2-5-9(8)12-7-3-6-11-12/h1-7H
3.InChIKey: QNDJHGODPWAKAO-UHFFFAOYAR