Products Categories
CAS No.: | 116153-81-2 |
---|---|
Name: | 5-(2-FURYL)-4H-PYRAZOLE-3-CARBOXYLIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H6N2O3 |
Molecular Weight: | 178.14 |
Synonyms: | Pyrazole-3(or5)-carboxylic acid, 5(or 3)-(2-furyl)- (6CI);5-(2-Furyl)-1H-pyrazole-3-carboxylic acid; |
Density: | 1.465 g/cm3 |
Melting Point: | 216-218 °C |
Boiling Point: | 488 °C at 760 mmHg |
Flash Point: | 248.9 °C |
Hazard Symbols: | Xn |
Risk Codes: | Harmful:; "> Harmful:; |
Safety: | 22-26-36/37/39 |
PSA: | 79.12000 |
LogP: | 1.36790 |
What can I do for you?
Get Best Price
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