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100537-55-1

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Basic Information
CAS No.: 100537-55-1
Name: 5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 100537-55-1 (5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID)
Formula: C14H10N2O3
Molecular Weight: 254.245
Synonyms: Pyrazole-3-carboxylicacid, 5-(2-furyl)-1-phenyl- (6CI);
Density: 1.34 g/cm3
Melting Point: 166 °C
Boiling Point: 475.1 °C at 760 mmHg
Flash Point: 241.1 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:;
">  Xi:;
Safety: 26
PSA: 68.26000
LogP: 2.83050
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Specification

The 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-1-phenyl-, with the CAS registry number 100537-55-1, is also known as 5-(2-Furyl)-1-phenyl-1H-pyrazole-3-carboxylic acid. This chemical's molecular formula is C14H10N2O3 and molecular weight is 254.2408. Its systematic name is called 5-furan-2-yl-1-phenyl-1H-pyrazole-3-carboxylic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-1-phenyl-: (1)ACD/LogP: 3.33; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 4.6; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.62; (7)ACD/KOC (pH 7.4): 1.53; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.656; (12)Molar Refractivity: 69.52 cm3; (13)Molar Volume: 189 cm3; (14)Surface Tension: 55 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 241.1 °C; (17)Enthalpy of Vaporization: 77.8 kJ/mol; (18)Boiling Point: 475.1 °C at 760 mmHg; (19)Vapour Pressure: 7.82E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2nn(c(c1occc1)c2)c3ccccc3
(2)InChI: InChI=1/C14H10N2O3/c17-14(18)11-9-12(13-7-4-8-19-13)16(15-11)10-5-2-1-3-6-10/h1-9H,(H,17,18)
(3)InChIKey: DYXLCKGZAKVTAF-UHFFFAOYAC