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54023-06-2

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Basic Information
CAS No.: 54023-06-2
Name: 5-(3-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
Article Data: 6
Molecular Structure:
Molecular Structure of 54023-06-2 (5-(3-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER)
Formula: C12H11NO3
Molecular Weight: 217.224
Synonyms: 5-(3-Aminophenyl)furan-2-carboxylicacid methyl ester;Methyl 5-(3-aminophenyl)-2-furancarboxylate;5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester;
Density: 1.222 g/cm3
Melting Point: 102-106 °C(lit.)
Boiling Point: 411.2 °C at 760 mmHg
Flash Point: 202.5 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22
PSA: 65.46000
LogP: 2.89660
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Specification

The 2-Furancarboxylic acid,5-(3-aminophenyl)-, methyl ester, with the CAS registry number 54023-06-2, is also known as 5-(3-Aminophenyl)furan-2-carboxylic acid methyl ester. This chemical's molecular formula is C12H11NO3 and molecular weight is 217.22. Its systematic name is called methyl 5-(3-aminophenyl)furan-2-carboxylate. When you are using this chemical, please be cautious about it. This chemical may cause damage to health. It is harmful if swallowed. The product should be sealed and stored in cool and dry place.

Physical properties of 2-Furancarboxylic acid,5-(3-aminophenyl)-, methyl ester: (1)ACD/LogP: 1.49; (2)ACD/LogD (pH 5.5): 1.48; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 7.79; (5)ACD/BCF (pH 7.4): 8.01; (6)ACD/KOC (pH 5.5): 149.95; (7)ACD/KOC (pH 7.4): 154.38; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 59.15 cm3; (13)Molar Volume: 177.6 cm3; (14)Surface Tension: 47 dyne/cm; (15)Density: 1.222 g/cm3; (16)Flash Point: 202.5 °C; (17)Enthalpy of Vaporization: 66.36 kJ/mol; (18)Boiling Point: 411.2 °C at 760 mmHg; (19)Vapour Pressure: 5.7E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2oc(c1cc(N)ccc1)cc2
(2)InChI: InChI=1/C12H11NO3/c1-15-12(14)11-6-5-10(16-11)8-3-2-4-9(13)7-8/h2-7H,13H2,1H3
(3)InChIKey: IZIZPLREWPTKFV-UHFFFAOYAO