4-(N-Hexyloxy)benzeneboronic acid supplier

Name
4-(N-HEXYLOXY)BENZENEBORONIC ACID
EINECS
CAS No. 121219-08-7
Article Data8
CAS DataBase
Density 1.05 g/cm³
Solubility
Melting Point 85°C(lit.)
Formula C₁₂H₁₉BO₃
Boiling Point 368.594 °C at 760 mmHg
Molecular Weight 222.092
Flash Point 176.72 °C
Transport Information
Appearance
Safety 26-37-60
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [4-(hexyloxy)phenyl]- (9CI);(4-Hexyloxyphenyl)boronic acid;4-Hexyloxybenzeneboronic acid;p-Hexyloxyphenylboronic acid;[4-(hexyloxy)phenyl]boronic acid;
PSA 49.69000
LogP 1.32550

4-(N-Hexyloxy)benzeneboronic acid Specification

The Boronic acid,B-[4-(hexyloxy)phenyl]-, with the CAS registry number 121219-08-7, has the systematic name of [4-(hexyloxy)phenyl]boronic acid. It belongs to the product categories of Blocks and Boronic Acids. And the molecular formula of the chemical is C₁₂H₁₉BO₃.

The characteristics of Boronic acid,B-[4-(hexyloxy)phenyl]- are as followings: (1)ACD/LogP: 4.16; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 27.69 Å²; (7)Index of Refraction: 1.505; (8)Molar Refractivity: 62.8 cm³; (9)Molar Volume: 211.5 cm³; (10)Polarizability: 24.89×10^-24cm³; (11)Surface Tension: 39.5 dyne/cm; (12)Density: 1.04 g/cm³; (13)Flash Point: 176.7 °C; (14)Enthalpy of Vaporization: 64.91 kJ/mol; (15)Boiling Point: 368.6 °C at 760 mmHg; (16)Vapour Pressure: 4.4E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1ccc(cc1)B(O)O)CCCCCC
(2)InChI: InChI=1/C12H19BO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9,14-15H,2-5,10H2,1H3
(3)InChIKey: XYNVLFGOOWUKQS-UHFFFAOYAY

Product Name

4-(N-HEXYLOXY)BENZENEBORONIC ACID

4-(N-Hexyloxy)benzeneboronic acid Specification

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