3,4-Dimethyl-2,5-furandione supplier

Name
3,4-dimethylfuran-2,5-dione
EINECS
CAS No. 62565-79-1
Density 1.236 g/cm³
Solubility
Melting Point
Formula C₆H₆O₃
Boiling Point 223 °C at 760 mmHg
Molecular Weight 126.11
Flash Point 95.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Dimethylfuran-2,5-dione;
PSA 43.37000
LogP 0.40620

3,4-Dimethyl-2,5-furandione Specification

The 3,4-Dimethyl-2,5-furandione, with the CAS registry number 62565-79-1, is also known as 2,5-Furandione, 3,4-dimethyl-. This chemical's molecular formula is C₆H₆O₃ and molecular weight is 126.11. What's more, both its IUPAC name and systematic name are the same which is called 3,4-Dimethylfuran-2,5-dione.

Physical properties about 3,4-Dimethyl-2,5-furandione are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.45; (6)ACD/BCF (pH 7.4): 2.45; (7)ACD/KOC (pH 5.5): 66.18; (8)ACD/KOC (pH 7.4): 66.18; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.486; (14)Molar Refractivity: 29.32 cm³; (15)Molar Volume: 102 cm³; (16)Surface Tension: 36.9 dyne/cm; (17)Density: 1.236 g/cm³; (18)Flash Point: 95.6 °C; (19)Enthalpy of Vaporization: 45.95 kJ/mol; (20)Boiling Point: 223 °C at 760 mmHg; (21)Vapour Pressure: 0.0986 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1OC(=O)/C(=C/1C)C
(2) InChI: InChI=1/C6H6O3/c1-3-4(2)6(8)9-5(3)7/h1-2H3
(3) InChIKey: MFGALGYVFGDXIX-UHFFFAOYAY

Product Name

3,4-dimethylfuran-2,5-dione

3,4-Dimethyl-2,5-furandione Specification

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