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2-Furancarboxylic acid,5-(4-methoxyphenyl)-

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Name

2-Furancarboxylic acid,5-(4-methoxyphenyl)-

EINECS N/A
CAS No. 52938-99-5 Density 1.253g/cm3
PSA 59.67000 LogP 2.65340
Solubility N/A Melting Point 182-186 °C
Formula C12H10O4 Boiling Point 401.5 °C at 760 mmHg
Molecular Weight 218.209 Flash Point 196.6 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 52938-99-5 (5-(4-Methoxyphenyl)-2-furoic acid) Hazard Symbols IrritantXi
Synonyms

5-(4-Methoxyphenyl)-2-furoic acid;

Article Data 23

2-Furancarboxylic acid,5-(4-methoxyphenyl)- Specification

The 2-Furancarboxylic acid,5-(4-methoxyphenyl)-, with the CAS registry number 52938-99-5, is also known as 5-(4-Methoxyphenyl)-2-furoic acid. It belongs to the product categories of Building Blocks; Furans; Heterocyclic Building Blocks. This chemical's molecular formula is C12H10O4 and molecular weight is 218.2054. What's more, both its IUPAC name and systematic name are the same which is called 5-(4-Methoxyphenyl)furan-2-carboxylic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.42; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.31; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 48.67 Å2; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 56.75 cm3; (14)Molar Volume: 174 cm3; (15)Surface Tension: 46 dyne/cm; (16)Density: 1.253 g/cm3; (17)Flash Point: 196.6 °C; (18)Enthalpy of Vaporization: 68.81 kJ/mol; (19)Boiling Point: 401.5 °C at 760 mmHg; (20)Vapour Pressure: 3.64E-07 mmHg at 25 °C; (21)Melting Point: 182-186 °C.

Preparation of 2-Furancarboxylic acid,5-(4-methoxyphenyl)-: this chemical can be prepared by 5-(4-Methoxy-phenyl)-furan-2-carbaldehyde.

This reaction needs reagents AgNO3, NaOH. The yield is 32%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contact with eyes, you should 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)c2oc(c1ccc(OC)cc1)cc2
(2) InChI: InChI=1/C12H10O4/c1-15-9-4-2-8(3-5-9)10-6-7-11(16-10)12(13)14/h2-7H,1H3,(H,13,14)
(3) InChIKey: YEBLYHKPTQJGEC-UHFFFAOYAX

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