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| CAS No.: | 913835-91-3 |
|---|---|
| Name: | 2-CARBOXYTHIOPHENE-4-BORONIC ACID 98 |
| Molecular Structure: | |
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|
|
| Formula: | C5H5BO4S |
| Molecular Weight: | 171.969 |
| Synonyms: | (2-Carboxythien-4-yl)boronic acid; |
| Density: | 1.59 g/cm3 |
| Melting Point: | 170-172 °C |
| Boiling Point: | 467.6 °C at 760 mmHg |
| Flash Point: | 236.6 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 106.00000 |
| LogP: | -0.87390 |
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Specification
The 2-Thiophenecarboxylicacid, 4-borono-, with CAS registry number 913835-91-3, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of 4-boronothiophene-2-carboxylic acid. And the chemical formula of this chemical is C5H5BO4S. This chemical should be kept cold.
Physical properties of 2-Thiophenecarboxylicacid, 4-borono-: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 106 Å2; (7)Index of Refraction: 1.615; (8)Molar Refractivity: 37.7 cm3; (9)Molar Volume: 107.9 cm3; (10)Polarizability: 14.94×10-24cm3; (11)Surface Tension: 74.3 dyne/cm; (12)Enthalpy of Vaporization: 76.87 kJ/mol; (13)Vapour Pressure: 1.52E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(sc1)C(=O)O)(O)O
(2)InChI: InChI=1/C5H5BO4S/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,9-10H,(H,7,8)
(3)InChIKey: LISDLMYCEQUKLA-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H5BO4S/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,9-10H,(H,7,8)
(5)Std. InChIKey: LISDLMYCEQUKLA-UHFFFAOYSA-N