Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-(Furan-2-yl)-2H-pyrazole-3-carboxylic acid |
EINECS | N/A |
CAS No. | 116153-81-2 | Density | 1.465 g/cm3 |
PSA | 79.12000 | LogP | 1.36790 |
Solubility | N/A | Melting Point |
216-218 °C |
Formula | C8H6N2O3 | Boiling Point | 488 °C at 760 mmHg |
Molecular Weight | 178.14 | Flash Point | 248.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-26-36/37/39 | Risk Codes |
Harmful:; |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Pyrazole-3(or5)-carboxylic acid, 5(or 3)-(2-furyl)- (6CI);5-(2-Furyl)-1H-pyrazole-3-carboxylic acid; |
Article Data | 3 |
The 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-, with the CAS registry number of 116153-81-2, is also known as 5-(2-Furyl)-1H-pyrazole-3-carboxylic acid. This chemical's molecular formula is C8H6N2O3 and molecular weight is 178.14. What's more, its systematic name is called 5-(Furan-2-yl)-1H-pyrazole-3-carboxylic acid.
Physical properties about 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)- are: (1)ACD/LogP: 1.08; (2)ACD/BCF (pH 5.5): 1; (3)# of Rule of 5 Violations: 0; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.54; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.26 Å2; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 42.59 cm3; (13)Molar Volume: 121.5 cm3; (14)Surface Tension: 69 dyne/cm; (15)Density: 1.465 g/cm3; (16)Flash Point: 248.9 °C; (17)Enthalpy of Vaporization: 79.42 kJ/mol; (18)Boiling Point: 488 °C at 760 mmHg; (19)Vapour Pressure: 2.45E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2nnc(c1occc1)c2
(2) InChI: InChI=1/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
(3) InChIKey: GKPSFQIKCROJOB-UHFFFAOYAG