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3-Furancarboxylic acid,2-methyl-5-phenyl-

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Name

3-Furancarboxylic acid,2-methyl-5-phenyl-

EINECS N/A
CAS No. 108124-17-0 Density 1.215 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point 176 °C
Formula C12H10O3 Boiling Point 357.1 °C at 760 mmHg
Molecular Weight 202.21 Flash Point 169.8 °C
Transport Information N/A Appearance light yellow, crystalline powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 108124-17-0 (2-METHYL-5-PHENYLFURAN-3-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

3-Furoicacid, 2-methyl-5-phenyl- (6CI);2-Methyl-5-phenyl-3-furoic acid;2-Methyl-5-phenylfuran-3-carboxylic acid;5-Phenyl-2-methyl-3-furancarboxylicacid;

Article Data 2

3-Furancarboxylic acid,2-methyl-5-phenyl- Specification

This chemical is called 3-Furancarboxylic acid,2-methyl-5-phenyl-, and its systematic name is 2-Methyl-5-phenylfuran-3-carboxylic acid. With the molecular formula of C12H10O3, its molecular weight is 202.21. The CAS registry number of the chemical is 108124-17-0. However, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of 3-Furancarboxylic acid,2-methyl-5-phenyl- can be summarised as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 0.66; (5)ACD/BCF (pH 5.5): 16.47; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 119.32; (8)ACD/KOC (pH 7.4): 2.87; (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: 1.574; (14)Molar Refractivity: 54.89 cm3; (15)Molar Volume: 166.3 cm3; (16)Polarizability: 21.76×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.215 g/cm3; (19)Flash Point: 169.8 °C; (20)Enthalpy of Vaporization: 63.57 kJ/mol; (21)Boiling Point: 357.1 °C at 760 mmHg; (22)Vapour Pressure: 1.01E-05 mmHg at 25°C.

Production method of this chemical: The 3-Furancarboxylic acid,2-methyl-5-phenyl- could be obtained by the reactant of 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester. This reaction needs the reagent of Pieces of sodium, and the solvent of Ethanol. The yield is 35 %. In addition, this reaction should be taken for 3 hours at heated condition.

The 3-Furancarboxylic acid,2-methyl-5-phenyl- could be obtained by the reactant of 2-Methyl-5-phenyl-furan-3-carboxylic acid ethyl ester

Uses of this chemical: The 3-Furancarboxylic acid,2-methyl-5-phenyl- could react with (4-Chloro-phenyl)-lithium to obtain the P-chlorophenyl 2-methyl-5-phenyl-3-furyl ketone. This reaction needs the solvent of Hexane. The yield is 60 %. In addition, this reaction should be taken at the ambient temperature.

The 3-Furancarboxylic acid,2-methyl-5-phenyl- could react with (4-Chloro-phenyl)-lithium to obtain the P-chlorophenyl 2-methyl-5-phenyl-3-furyl ketone

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. 

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2c(oc(c1ccccc1)c2)C
2.InChI: InChI=1/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
3.InChIKey: VLMNACSEESRUAK-UHFFFAOYAF
4.Std. InChI: InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
5.Std. InChIKey: VLMNACSEESRUAK-UHFFFAOYSA-N

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