5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid supplier

Name
5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid
EINECS
CAS No. 386736-99-8
Density 1.4 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₃
Boiling Point 414.6 °C at 760 mmHg
Molecular Weight 192.17
Flash Point 204.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Furancarboxylic acid, 5-(1H-pyrazol-1-ylmethyl)-;
PSA 68.26000
LogP 1.22260

5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid Specification

The CAS registry number of 5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid is 386736-99-8. This chemical is also known as 2-Furancarboxylic acid, 5-(1H-pyrazol-1-ylmethyl)-. The molecular formula of it is C₉H₈N₂O₃ and molecular weight is 192.17. Its systematic name is called 5-(1H-pyrazol-1-ylmethyl)furan-2-carboxylic acid. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about this chemical are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.634; (11)Molar Refractivity: 49.02 cm³; (12)Molar Volume: 137 cm³; (13)Surface Tension: 57.1 dyne/cm; (14)Density: 1.4 g/cm³; (15)Flash Point: 204.5 °C; (16)Enthalpy of Vaporization: 70.38 kJ/mol; (17)Boiling Point: 414.6 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1oc(cc1)Cn2nccc2
(2)InChI: InChI=1/C9H8N2O3/c12-9(13)8-3-2-7(14-8)6-11-5-1-4-10-11/h1-5H,6H2,(H,12,13)
(3)InChIKey: FZCNKLLKDQIBAZ-UHFFFAOYAP

Product Name

5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid

5-Pyrazol-1-ylmethyl-furan-2-carboxylic acid Specification

Related Products

Hot Products