Boronic acid, [4-(nonyloxy)phenyl]-(9CI) supplier

Name
4-(N-NONYLOXY)BENZENEBORONIC ACID
EINECS
CAS No. 173392-87-5
Article Data7
CAS DataBase
Density 1.01 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₅BO₃
Boiling Point 408.4 °C at 760 mmHg
Molecular Weight 264.173
Flash Point 200.8 °C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms (4-Nonyloxyphenyl)boronic acid;4-Nonyloxybenzeneboric acid;
PSA 49.69000
LogP 2.49580

Boronic acid, [4-(nonyloxy)phenyl]-(9CI) Specification

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

Product Name

4-(N-NONYLOXY)BENZENEBORONIC ACID

Boronic acid, [4-(nonyloxy)phenyl]-(9CI) Specification

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