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CAS No.: | 89466-05-7 |
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Name: | (3-AMINO-5-NITROPHENYL)BORONIC ACID |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H7BN2O4 |
Molecular Weight: | 181.944 |
Synonyms: | Benzeneboronicacid, 3-amino-5-nitro- (6CI,7CI);3-Amino-5-nitrophenylboronic acid; |
Density: | 1.48 g/cm3 |
Boiling Point: | 484.1 °C at 760 mmHg |
Flash Point: | 246.6 °C |
Hazard Symbols: | Xi |
PSA: | 112.30000 |
LogP: | -0.03880 |
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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