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| CAS No.: | 131-76-0 |
|---|---|
| Name: | 1-BENZOFURAN-2,3-DICARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C10H6O5 |
| Molecular Weight: | 206.155 |
| Synonyms: | 1-BENZOFURAN-2,3-DICARBOXYLIC ACID;2,3-BENZOFURANDICARBOXYLIC ACID;1-Benzofuran-2,3-dicarboxylic acid 97%;Benzo[b]furan-2,3-dicarboxylic acid, 97%;Benzofuran-2,3-dicarboxylic acid |
| Density: | 1.568g/cm3 |
| Melting Point: | 255-259 °C(lit.) |
| Boiling Point: | 431.1 °C at 760 mmHg |
| Flash Point: | 214.5 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 87.74000 |
| LogP: | 1.82920 |
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Specification
The 2,3-Benzofurandicarboxylicacid, with CAS registry number 131-76-0, belongs to the following product categories: (1)Carboxylic Acids; (2)Furans, Benzofurans & Dihydrobenzofurans; (3)Benzofurans; (4)Building Blocks; (5)Heterocyclic Building Blocks. It has the systematic name of 1-benzofuran-2,3-dicarboxylic acid. And the chemical formula of this chemical is C10H6O5.
Physical properties of 2,3-Benzofurandicarboxylicacid: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.5; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.74 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 50.25 cm3; (15)Molar Volume: 131.4 cm3; (16)Polarizability: 19.92×10-24cm3; (17)Surface Tension: 77 dyne/cm; (18)Density: 1.568 g/cm3; (19)Flash Point: 214.5 °C; (20)Enthalpy of Vaporization: 72.38 kJ/mol; (21)Boiling Point: 431.1 °C at 760 mmHg; (22)Vapour Pressure: 3.38E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 2,3-Benzofurandicarboxylicacid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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)c1c2ccccc2oc1C(=O)O
(2)InChI: InChI=1/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14)
(3)InChIKey: FAEMVAVNTRSKEZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H6O5/c11-9(12)7-5-3-1-2-4-6(5)15-8(7)10(13)14/h1-4H,(H,11,12)(H,13,14)
(5)Std. InChIKey: FAEMVAVNTRSKEZ-UHFFFAOYSA-N