-
Name
(3-AMINO-5-NITROPHENYL)BORONIC ACID
- EINECS
- CAS No. 89466-05-7
- Article Data2
- CAS DataBase
- Density 1.48 g/cm3
- Solubility
- Melting Point
- Formula C6H7BN2O4
- Boiling Point 484.1 °C at 760 mmHg
- Molecular Weight 181.944
- Flash Point 246.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Benzeneboronicacid, 3-amino-5-nitro- (6CI,7CI);3-Amino-5-nitrophenylboronic acid;
- PSA 112.30000
- LogP -0.03880
Boronic acid,(3-amino-5-nitrophenyl)- (9CI) Specification
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
Related Products
- Boronic acid, (10-[1,1'-biphenyl]-4-yl-9-anthracenyl)-
- Boronic acid, (3-amino-5-cyanophenyl)-, monohydrochloride(9CI)
- Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI)
- Boronic acid, (4-bromo-2-nitrophenyl)-
- Boronic acid, (5-methoxy-2-thienyl)-
- Boronic acid, (9,9-diphenyl-9H-fluoren-2-yl)-
- Boronic acid, [2-[(2-methylphenoxy)methyl]phenyl]- (9CI)
- Boronic acid, [4-(nonyloxy)phenyl]-(9CI)
- Boronic acid, [4-[5-[4-(dimethylamino)phenyl]-2-oxazolyl]phenyl]-(9CI)
- Boronic acid, 2,5-benzofurandiylbis-
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- 89466-18-2
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- 89466-59-1
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- 89469-44-3
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