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Name |
1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, ethyl ester |
EINECS | N/A |
CAS No. | 34020-22-9 | Density | 1.261 /cm3 |
PSA | 68.12000 | LogP | 1.84640 |
Solubility | N/A | Melting Point |
137-138 °C |
Formula | C10H10N2O3 | Boiling Point | 404.3 °C at 760 mmHg |
Molecular Weight | 206.201 | Flash Point | 198.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
ETHYL 5-(2-FURYL)-1H-PYRAZOLE-3-CARBOXYLATE;Ethyl 5-fur-2-yl-1H-pyrazole-3-carboxylate;Ethyl 5-fur-2-yl-1H-pyrazole-3-carboxylate 97% |
This chemical is called 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, ethyl ester, and its systematic name is ethyl 3-furan-2-yl-1H-pyrazole-5-carboxylate. With the molecular formula of C10H10N2O3, its molecular weight is 206.20. The CAS registry number of this chemical is 34020-22-9.
Other characteristics of the 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, ethyl ester can be summarised as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.05; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 21.32; (6)ACD/BCF (pH 7.4): 21.3; (7)ACD/KOC (pH 5.5): 310.99; (8)ACD/KOC (pH 7.4): 310.78; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 52.07 cm3; (15)Molar Volume: 163.4 cm3; (16)Polarizability: 20.64×10-24cm3; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.261 g/cm3; (19)Flash Point: 198.3 °C; (20)Enthalpy of Vaporization: 65.57 kJ/mol; (21)Boiling Point: 404.3 °C at 760 mmHg; (22)Vapour Pressure: 9.53E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.ILES: =C(OCC)c2nnc(c1occc1)c2
2.ChI: nChI=1/C10H10N2O3/c1-2-14-10(13)8-6-7(11-12-8)9-4-3-5-15-9/h3-6H,2H2,1H3,(H,11,12)
3.ChIKey: SVBXAZEQDJUOY-UHFFFAOYAV