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4-(2-Furyl)benzoic acid

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Name

4-(2-Furyl)benzoic acid

EINECS N/A
CAS No. 35461-98-4 Density 1.254 g/cm3
PSA 50.44000 LogP 2.64480
Solubility N/A Melting Point 231 °C
Formula C11H8O3 Boiling Point 345 °C at 760 mmHg
Molecular Weight 188.183 Flash Point 162.5 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 35461-98-4 (4-(2-Furyl)benzoic acid) Hazard Symbols IrritantXi
Synonyms

2-Furyl-4-benzoicacid;Benzoic acid,4-(2-furanyl)-;4-(Furan-2-yl)benzoic acid;p-2-Furylbenzoicacid;

Article Data 17

4-(2-Furyl)benzoic acid Specification

The 4-(2-Furyl)benzoic acid, with the CAS registry number 35461-98-4, is also known as 2-Furyl-4-benzoicacid. This chemical's molecular formula is C11H8O3 and molecular weight is 188.18. What's more, its systematic name is 4-furan-2-ylbenzoic acid. 

Physical properties of 4-(2-Furyl)benzoic acid are: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.63; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 4.93; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 46.17; (8)ACD/KOC (pH 7.4): 1.27; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 39.44 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 50.07 cm3; (15)Molar Volume: 150 cm3; (16)Surface Tension: 48.8 dyne/cm; (17)Density: 1.254 g/cm3; (18)Flash Point: 162.5 °C; (19)Enthalpy of Vaporization: 62.16 kJ/mol; (20)Boiling Point: 345 °C at 760 mmHg; (21)Vapour Pressure: 2.41E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2ccc(c1occc1)cc2
(2)InChI: InChI=1S/C11H8O3/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)
(3)InChIKey: FOJYVBSPOBUCMV-UHFFFAOYSA-N

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