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Name |
Boronic acid,(3-amino-5-nitrophenyl)- (9CI) |
EINECS | N/A |
CAS No. | 89466-05-7 | Density | 1.48 g/cm3 |
PSA | 112.30000 | LogP | -0.03880 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H7BN2O4 | Boiling Point | 484.1 °C at 760 mmHg |
Molecular Weight | 181.944 | Flash Point | 246.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Benzeneboronicacid, 3-amino-5-nitro- (6CI,7CI);3-Amino-5-nitrophenylboronic acid; |
Article Data | 2 |
The Boronic acid,(3-amino-5-nitrophenyl)- (9CI), with the CAS registry number 89466-05-7, is also known as 3-Amino-5-nitrobenzeneboronic acid 97%. It belongs to the product categories of Blocks; Boronic Acids. This chemical's molecular formula is C6H7BN2O4 and molecular weight is 181.94. Its systematic name is called (3-amino-5-nitrophenyl)boronic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.
Physical properties of Boronic acid,(3-amino-5-nitrophenyl)- (9CI): (1)ACD/LogP: 0.74; (2)ACD/LogD (pH 5.5): 0.7; (3)ACD/LogD (pH 7.4): -0.21; (4)ACD/BCF (pH 5.5): 1.96; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 54.74; (7)ACD/KOC (pH 7.4): 6.69; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.617; (12)Molar Refractivity: 42.93 cm3; (13)Molar Volume: 122.5 cm3; (14)Surface Tension: 71.7 dyne/cm; (15)Density: 1.48 g/cm3; (16)Flash Point: 246.6 °C; (17)Enthalpy of Vaporization: 78.93 kJ/mol; (18)Boiling Point: 484.1 °C at 760 mmHg; (19)Vapour Pressure: 3.48E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(N)cc(B(O)O)c1
(2)InChI: InChI=1/C6H7BN2O4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3,10-11H,8H2
(3)InChIKey: KLVJZQJSYAKUKK-UHFFFAOYAG