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| CAS No.: | 6318-55-4 |
|---|---|
| Name: | CIS-ACONITIC ANHYDRIDE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C6H4O5 |
| Molecular Weight: | 156.095 |
| Synonyms: | 1-Propene-1,2,3-tricarboxylicacid, 1,2-anhydride (7CI);1-Propene-1,2,3-tricarboxylic acid, cyclic1,2-anhydride (8CI);Aconitic anhydride (6CI);(2,5-Dioxo-2,5-dihydrofuran-3-yl)acetic acid;Aconityl anhydride;NSC 31662;cis-Aconitic acid anhydride;cis-Aconitic anhydride; |
| EINECS: | 228-663-3 |
| Density: | 1.621 g/cm3 |
| Melting Point: | 75-78 °C(lit.) |
| Boiling Point: | 397.8 °C at 760 mmHg |
| Flash Point: | 177.6 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 3261 8/PG 2 |
| PSA: | 80.67000 |
| LogP: | -0.52910 |
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Specification
The CAS register number of 3-Furanacetic acid,2,5-dihydro-2,5-dioxo- is 6318-55-4. It also can be called as 1-Propene-1,2,3-tricarboxylicacid, 1,2-anhydride (7CI) and the systematic name about this chemical is (2,5-dioxo-2,5-dihydrofuran-3-yl)acetic acid. The molecular formula about this chemical is C6H4O5 and the molecular weight is 156.09.
Physical properties about 3-Furanacetic acid,2,5-dihydro-2,5-dioxo- are: (1)ACD/LogP: -0.30; (2)ACD/LogD (pH 5.5): -2.16; (3)ACD/LogD (pH 7.4): -3.75; (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: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 69.67 Å2; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 30.8 cm3; (14)Molar Volume: 96.2 cm3; (15)Polarizability: 12.21x10-24cm3; (16)Surface Tension: 69 dyne/cm; (17)Density: 1.621 g/cm3; (18)Flash Point: 177.6 °C; (19)Enthalpy of Vaporization: 71.15 kJ/mol; (20)Boiling Point: 397.8 °C at 760 mmHg; (21)Vapour Pressure: 1.94E-07 mmHg at 25 °C.
Uses of 3-Furanacetic acid,2,5-dihydro-2,5-dioxo-: it can be used to produce (3,5-dioxo-4,10-dioxa-tricyclo[5.2.1.02,6]dec-8-en-2-yl)-acetic acid with furan. This reaction is a kind of Cycloaddition reaction. This reaction will need solvent of tetrahydrofuran. This reaction needs pressure of 6.00048e+06. The reaction time is 4 days with reaction temperature of 25 °C. The yield is about 85%.
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When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) In case of contact 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)CC\1=C\C(=O)OC/1=O
(2)InChI: InChI=1/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)
(3)InChIKey: GVJRTUUUJYMTNQ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H4O5/c7-4(8)1-3-2-5(9)11-6(3)10/h2H,1H2,(H,7,8)
(5)Std. InChIKey: GVJRTUUUJYMTNQ-UHFFFAOYSA-N