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| Name |
Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI) |
EINECS | N/A |
| CAS No. | 913835-26-4 | Density | N/A |
| PSA | 90.27000 | LogP | 0.20348 |
| Solubility | N/A | Melting Point |
123-125 °C |
| Formula | C7H8BClN2O2 | Boiling Point | 471 °C at 760 mmHg |
| Molecular Weight | 198.4146 | Flash Point | 238.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols |
 Xi;  T
|
| Synonyms |
3-AMINO-5-CYANOBENZENEBORONIC ACID HYDROCHLORIDE 97;3-Amino-5-cyanobenzeneboronic acid hydrochloride 97% |
Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI) Specification
The Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI), with CAS registry number 913835-26-4, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of (3-amino-5-cyano-phenyl)boronic acid hydrochloride. This chemical should be kept cold.
Physical properties of Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI): (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)#H bond acceptors: 4; (5)#H bond donors: 4; (6)#Freely Rotating Bonds: 4; (7)Polar Surface Area: 90.27 Å2; (8)Enthalpy of Vaporization: 77.29 kJ/mol; (9)Vapour Pressure: 1.12E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1)N)C#N)(O)O.Cl
(2)InChI: InChI=1/C7H7BN2O2.ClH/c9-4-5-1-6(8(11)12)3-7(10)2-5;/h1-3,11-12H,10H2;1H
(3)InChIKey: DBXOAJZFPXYVHT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C7H7BN2O2.ClH/c9-4-5-1-6(8(11)12)3-7(10)2-5;/h1-3,11-12H,10H2;1H
(5)Std. InChIKey: DBXOAJZFPXYVHT-UHFFFAOYSA-N
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