Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Boronic acid, [4-(nonyloxy)phenyl]-(9CI) |
EINECS | N/A |
CAS No. | 173392-87-5 | Density | 1.01 g/cm3 |
PSA | 49.69000 | LogP | 2.49580 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H25BO3 | Boiling Point | 408.4 °C at 760 mmHg |
Molecular Weight | 264.173 | Flash Point | 200.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:Irritant; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(4-Nonyloxyphenyl)boronic acid;4-Nonyloxybenzeneboric acid; |
Article Data | 7 |
The Boronic acid, [4-(nonyloxy)phenyl]-(9CI) is an organic compound with the formula C15H25BO3. The systematic name of this chemical is [4-(Nonyloxy)phenyl]boronic acid. With the CAS registry number 173392-87-5, it is also named as 4-(n-Nonyloxy)benzeneboronic acid. Besides, its molecular weight is 264.17.
Physical properties about Boronic acid, [4-(nonyloxy)phenyl]-(9CI) are: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.76; (4)ACD/LogD (pH 7.4): 5.74; (5)ACD/BCF (pH 5.5): 13927.5; (6)ACD/BCF (pH 7.4): 13296.78; (7)ACD/KOC (pH 5.5): 32188.27; (8)ACD/KOC (pH 7.4): 30730.58; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 76.7 cm3; (15)Molar Volume: 260.4 cm3; (16)Polarizability: 30.4×10-24 cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.01 g/cm3; (19)Flash Point: 200.8 °C; (20)Enthalpy of Vaporization: 69.63 kJ/mol; (21)Boiling Point: 408.4 °C at 760 mmHg; (22)Vapour Pressure: 2.11E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H25BO3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12,17-18H,2-8,13H2,1H3
(2)InChIKey: XAJSPPCQRRBXGB-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C15H25BO3/c1-2-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18/h9-12,17-18H,2-8,13H2,1H3
(4)Std. InChIKey: XAJSPPCQRRBXGB-UHFFFAOYSA-N