Basic Information | Post buying leads | Suppliers |
Name |
Benzoic acid,3-amino-4-borono-, hydrochloride (9CI) |
EINECS | N/A |
CAS No. | 850568-60-4 | Density | N/A |
PSA | 103.78000 | LogP | 0.03000 |
Solubility | N/A | Melting Point |
>300 °C |
Formula | C7H9BClNO4 | Boiling Point | 490.6 °C at 760 mmHg |
Molecular Weight | 217.41 | Flash Point | 250.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Amino-4-borono-benzoic acid hydrochloride;(2-Amino-4-carboxy)benzeneboronic acid hydrochloride; |
The Benzoic acid,3-amino-4-borono-, hydrochloride (9CI), with the CAS registry number 850568-60-4, is also known as (2-Amino-4-carboxy)benzeneboronic acid hydrochloride. It belongs to the product categories of Blocks; Boronic Acids; Carboxes. This chemical's molecular formula is C7H9BClNO4 and molecular weight is 217.41. What's more, its systematic name is 3-amino-4-borono-benzoic acid hydrochloride.
Physical properties of Benzoic acid,3-amino-4-borono-, hydrochloride (9CI) are: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 5; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 103.78 Å2; (7)Flash Point: 250.5 °C; (8)Enthalpy of Vaporization: 79.74 kJ/mol; (9)Boiling Point: 490.6 °C at 760 mmHg; (10)Vapour Pressure: 1.94E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1N)C(=O)O)(O)O.Cl
(2)InChI: InChI=1S/C7H8BNO4.ClH/c9-6-3-4(7(10)11)1-2-5(6)8(12)13;/h1-3,12-13H,9H2,(H,10,11);1H
(3)InChIKey: ZRENJNMVSRNRES-UHFFFAOYSA-N