Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Formyl-2-furancarboxylic acid |
EINECS | N/A |
CAS No. | 13529-17-4 | Density | 1.453 g/cm3 |
PSA | 67.51000 | LogP | 0.79030 |
Solubility | N/A | Melting Point |
209 °C |
Formula | C6H4O4 | Boiling Point | 356.904 °C at 760 mmHg |
Molecular Weight | 140.095 | Flash Point | 169.65 °C |
Transport Information | N/A | Appearance | Tan solid |
Safety | 26-24/25 | Risk Codes | 36-36/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Furoicacid, 5-formyl- (6CI,8CI);2-Carboxy-5-(formyl)furan;2-Formyl-5-furancarboxylic acid;5-Carboxyfurfural;5-Formyl-2-furoic acid; |
Article Data | 135 |
The 2-Furancarboxylic acid,5-formyl- is an organic compound with the formula C6H4O4. The systematic name of this chemical is 5-formylfuran-2-carboxylic acid. With the CAS registry number 13529-17-4, it is also named as 5-Formyl-2-furancarboxylic acid. The product's categories are Aromatics Compounds; Aromatics; Heterocycles.
Physical properties about 2-Furancarboxylic acid,5-formyl- are: (1)ACD/LogP: 0.27; (2)ACD/LogD (pH 5.5): -2.46; (3)ACD/LogD (pH 7.4): -2.87; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 56.51 Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 32.23 cm3; (14)Molar Volume: 96.4 cm3; (15)Polarizability: 12.77×10-24cm3; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.452 g/cm3; (18)Flash Point: 169.6 °C; (19)Enthalpy of Vaporization: 63.55 kJ/mol; (20)Boiling Point: 356.9 °C at 760 mmHg; (21)Vapour Pressure: 1.03E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 5-hydroxymethyl-furan-2-carbaldehyde. This reaction will need reagent 65percent aq. HNO3. The reaction time is 22 hours with reaction temperature of 100 °C. The yield is about 43%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1oc(C(=O)O)cc1
(2)InChI: InChI=1/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)
(3)InChIKey: SHNRXUWGUKDPMA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H4O4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H,(H,8,9)
(5)Std. InChIKey: SHNRXUWGUKDPMA-UHFFFAOYSA-N