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Basic Information
CAS No.: 7330-48-5
Name: DI-N-BUTOXYBORYLBENZENE
Article Data: 8
Molecular Structure:
Molecular Structure of 7330-48-5 (DI-N-BUTOXYBORYLBENZENE)
Formula: C14H23BO2
Molecular Weight: 234.146
Synonyms: Benzeneboronicacid, dibutyl ester (6CI,7CI,8CI);Dibutoxyphenylborane;Dibutylphenylboronate;NSC 526743;Phenyldibutoxyborane;
Density: 0.91 g/cm3
Boiling Point: 309.4 °C at 760 mmHg
Flash Point: 140.9 °C
PSA: 18.46000
LogP: 3.01520
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Specification

The Boronicacid, phenyl-, dibutyl ester (9CI), with the CAS registry number 7330-48-5, is also known as Dibutyl phenylboronate. This chemical's molecular formula is C14H23BO2 and molecular weight is 234.14. What's more, its IUPAC name is Dibutoxy(phenyl)borane.

Physical properties about Boronicacid, phenyl-, dibutyl ester (9CI) are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 9; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.464; (8)Molar Refractivity: 70.74 cm3; (9)Molar Volume: 255.9 cm3; (10)Polarizability: 28.04×10-24cm3; (11)Surface Tension: 29.9 dyne/cm; (12)Density: 0.91 g/cm3; (13)Flash Point: 140.9 °C; (14)Enthalpy of Vaporization: 52.82 kJ/mol; (15)Boiling Point: 309.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00117 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(B(OCCCC)c1ccccc1)CCCC
(2) InChI: InChI=1/C14H23BO2/c1-3-5-12-16-15(17-13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
(3) InChIKey: AXCXNCAUYZRGHF-UHFFFAOYAQ