-
Name
(3-AMINO-5-NITROPHENYL)BORONIC ACID HCL SALT
- EINECS
- CAS No. 389621-79-8
- Density
- Solubility
- Melting Point 136-141°C
- Formula C6H8BClN2O4
- Boiling Point 484.1 °C at 760 mmHg
- Molecular Weight 218.405
- Flash Point 246.6 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-AMINO-5-NITROPHENYBORONIC ACID HCL SALT;(3-AMINO-5-NITROPHENYL)BORONIC ACID, HCL;(3-AMINO-5-NITROPHENYL)BORONIC ACID HCL SALT;(3-AMINO-5-NITROPHENYL)BORONIC ACID HYDROCHLORIDE;(3-AMINO-5-NITROPHENYL)BORONIC ACID HYDROCHLORIDE SALT;3-AMINO-5-NITROBENZENEBORONIC ACID HYDROCHLORIDE;Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride (9CI);3-Amino-5-nitrobenzeneboronic acid hydrochloride 97%
- PSA 112.30000
- LogP 0.76320
Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI) Specification
The Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI), with CAS registry number 389621-79-8, belongs to the following product categories: (1)Blocks; (2)Boronic Acids. It has the systematic name of 3-(dihydroxyboranyl)-5-nitroanilinium chloride. And the chemical formula of this chemical is C6H8BClN2O4.
Physical properties of Boronic acid, (3-amino-5-nitrophenyl)-, monohydrochloride(9CI): (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): -0.21; (5)ACD/BCF (pH 5.5): 1.96; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 54.74; (8)ACD/KOC (pH 7.4): 6.69; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 64.28 Å2; (13)Flash Point: 246.6 °C; (14)Enthalpy of Vaporization: 78.93 kJ/mol; (15)Boiling Point: 484.1 °C at 760 mmHg; (16)Vapour Pressure: 3.48E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Cl-].[O-][N+](=O)c1cc(cc(B(O)O)c1)[NH3+]
(2)InChI: InChI=1/C6H7BN2O4.ClH/c8-5-1-4(7(10)11)2-6(3-5)9(12)13;/h1-3,10-11H,8H2;1H
(3)InChIKey: QRMMGONMBRVVKK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H7BN2O4.ClH/c8-5-1-4(7(10)11)2-6(3-5)9(12)13;/h1-3,10-11H,8H2;1H
(5)Std. InChIKey: QRMMGONMBRVVKK-UHFFFAOYSA-N
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-
- 389621-80-1
- 389621-81-2
- 389621-83-4
- 389621-84-5
- 38962-61-7
- 3896-29-5
- 389630-95-9
- 389635-71-6
- 38963-94-9
- 38965-46-7
Hot Products
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View