1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-1-phenyl- supplier

Name
5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID
EINECS
CAS No. 100537-55-1
Article Data2
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 166 °C
Formula C₁₄H₁₀N₂O₃
Boiling Point 475.1 °C at 760 mmHg
Molecular Weight 254.245
Flash Point 241.1 °C
Transport Information
Appearance
Safety 26
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms Pyrazole-3-carboxylicacid, 5-(2-furyl)-1-phenyl- (6CI);
PSA 68.26000
LogP 2.83050

1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-1-phenyl- 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

Product Name

5-(2-FURYL)-1-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID

1H-Pyrazole-3-carboxylicacid, 5-(2-furanyl)-1-phenyl- Specification

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