Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester |
EINECS | N/A |
CAS No. | 110821-40-4 | Density | 1.576 g/cm3 |
PSA | 44.12000 | LogP | 3.46490 |
Solubility | N/A | Melting Point |
100-102℃ |
Formula | C12H10BrClN2O2 | Boiling Point | 398.598 °C at 760 mmHg |
Molecular Weight | 329.58 | Flash Point | 194.865 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
LogP |
Article Data | 1 |
This chemical is called Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate, and its CAS registry number is 110821-40-4. With the molecular formula of C12H10BrClN2O2, its molecular weight is 329.58.
Other characteristics of the Ethyl 5-bromo-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 304; (6)ACD/BCF (pH 7.4): 304; (7)ACD/KOC (pH 5.5): 2083; (8)ACD/KOC (pH 7.4): 2083; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 73.972 cm3; (15)Molar Volume: 209.093 cm3; (16)Polarizability: 29.325×10-24cm3; (17)Surface Tension: 48.456 dyne/cm; (18)Density: 1.576 g/cm3; (19)Flash Point: 194.865 °C; (20)Enthalpy of Vaporization: 64.92 kJ/mol; (21)Boiling Point: 398.598 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c2cnn(c1ccc(Cl)cc1)c2Br
2.InChI: InChI=1/C12H10BrClN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
3.InChIKey: BWALRXGXGVEXDX-UHFFFAOYAA