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| CAS No.: | 913835-76-4 |
|---|---|
| Name: | 4-CHLORO-2-FORMYLBENZENEBORONIC ACID 98 |
| Molecular Structure: | |
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| Formula: | C7H6BClO3 |
| Molecular Weight: | 184.387 |
| Synonyms: | Boronicacid, (4-chloro-2-formylphenyl)- (9CI);4-Chloro-2-formylphenylboronic acid; |
| Density: | 1.4 g/cm3 |
| Melting Point: | 132-134°C |
| Boiling Point: | 371.8 °C at 760 mmHg |
| Flash Point: | 178.6 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 57.53000 |
| LogP: | -0.16770 |
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Specification
The Boronicacid, B-(4-chloro-2-formylphenyl)-, with CAS registry number 913835-76-4, has the systematic name of (4-chloro-2-formyl-phenyl)boronic acid. This chemical belongs to the following product categories: (1)Blocks; (2)Boronic Acids. And the chemical formula of this chemical is C7H6BClO3.
Physical properties of Boronicacid, B-(4-chloro-2-formylphenyl)-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.54; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 57.53 Å2; (9)Index of Refraction: 1.568; (10)Molar Refractivity: 43.08 cm3; (11)Molar Volume: 131.6 cm3; (12)Polarizability: 17.08×10-24cm3; (13)Surface Tension: 53.4 dyne/cm; (14)Enthalpy of Vaporization: 65.28 kJ/mol; (15)Vapour Pressure: 3.48E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1C=O)Cl)(O)O
(2)InChI: InChI=1/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
(3)InChIKey: BTQFQGHQBOWNAJ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C7H6BClO3/c9-6-1-2-7(8(11)12)5(3-6)4-10/h1-4,11-12H
(5)Std. InChIKey: BTQFQGHQBOWNAJ-UHFFFAOYSA-N