-
Name
3,5-Dicarboxybenzeneboronic acid
- EINECS 686-016-4
- CAS No. 881302-73-4
- Article Data6
- CAS DataBase
- Density 1.63 g/cm3
- Solubility
- Melting Point >300 °C
- Formula C8H7BO6
- Boiling Point 590.7 °C at 760 mmHg
- Molecular Weight 209.951
- Flash Point 311.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 3,5-Dicarboxybenzeneboronic acid;5-Boronoisophthalic acid;3,5-Dicarboxybenzeneboronic acid 98%;3,5-Dicarboxyphenylboronic acid;5-boronobenzene-1,3-dicarboxylic acid
- PSA 115.06000
- LogP -1.23720
1,3-Benzenedicarboxylicacid, 5-borono- Specification
The 1,3-Benzenedicarboxylicacid, 5-borono-, with CAS registry number 881302-73-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Carboxes. It has the systematic name of 5-boronobenzene-1,3-dicarboxylic acid. Besides this, it is also called 3,5-Dicarboxybenzeneboronic acid. And the chemical formula of this chemical is C8H7BO6.
Physical properties of 1,3-Benzenedicarboxylicacid, 5-borono-: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 115.06 Å2; (7)Index of Refraction: 1.631; (8)Molar Refractivity: 45.84 cm3; (9)Molar Volume: 128.6 cm3; (10)Polarizability: 18.17×10-24cm3; (11)Surface Tension: 86.8 dyne/cm; (12)Density: 1.63 g/cm3; (13)Flash Point: 311.1 °C; (14)Enthalpy of Vaporization: 92.69 kJ/mol; (15)Boiling Point: 590.7 °C at 760 mmHg; (16)Vapour Pressure: 8.43E-15 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1)C(=O)O)C(=O)O)(O)O
(2)InChI: InChI=1/C8H7BO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,14-15H,(H,10,11)(H,12,13)
(3)InChIKey: LCDXMCXNZRXUDH-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C8H7BO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3,14-15H,(H,10,11)(H,12,13)
(5)Std. InChIKey: LCDXMCXNZRXUDH-UHFFFAOYSA-N
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