Basic Information | Post buying leads | Suppliers |
Name |
Boronic acid,B-[3-nitro-5-(1-piperidinylcarbonyl)phenyl]- |
EINECS | N/A |
CAS No. | 871332-78-4 | Density | 1.37 g/cm3 |
PSA | 106.59000 | LogP | 0.36180 |
Solubility | N/A | Melting Point |
180-184 °C |
Formula | C12H15BN2O5 | Boiling Point | 540 °C at 760 mmHg |
Molecular Weight | 278.07 | Flash Point | 280.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, [3-nitro-5-(1-piperidinylcarbonyl)phenyl]- (9CI); |
The Boronic acid,B-[3-nitro-5-(1-piperidinylcarbonyl)phenyl]- is an organic compound with the formula C12H15BN2O5. The systematic name of this chemical is [3-nitro-5-(piperidine-1-carbonyl)phenyl]boronic acid. With the CAS registry number 871332-78-4, it is also named as 3-Nitro-5-(piperidin-1-ylcarbonyl)benzeneboronic acid. The product's categories are Blocks; BoronicAcids; Carboxes; NitroCompounds.
Physical properties about Boronic acid,B-[3-nitro-5-(1-piperidinylcarbonyl)phenyl]- are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): 0.68 ; (3)#H bond acceptors: 7; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 106.59 Å2; (7)Index of Refraction: 1.601; (8)Molar Refractivity: 69.05 cm3; (9)Molar Volume: 201.5 cm3; (10)Polarizability: 27.37×10-24cm3; (11)Surface Tension: 63.6 dyne/cm; (12)Density: 1.37 g/cm3; (13)Flash Point: 280.4 °C; (14)Enthalpy of Vaporization: 86.04 kJ/mol; (15)Boiling Point: 540 °C at 760 mmHg; (16)Vapour Pressure: 1.71E-12 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCCCC2)(O)O
(2)InChI: InChI=1/C12H15BN2O5/c16-12(14-4-2-1-3-5-14)9-6-10(13(17)18)8-11(7-9)15(19)20/h6-8,17-18H,1-5H2
(3)InChIKey: LJDOEGHKIBCVDJ-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H15BN2O5/c16-12(14-4-2-1-3-5-14)9-6-10(13(17)18)8-11(7-9)15(19)20/h6-8,17-18H,1-5H2
(5)Std. InChIKey: LJDOEGHKIBCVDJ-UHFFFAOYSA-N