Name: M-T-BUTYLPHENYLBORONIC ACID
SKU: 560132-24-3

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Basic Information

Molecular Structure:
CAS No.:	560132-24-3
Name:	M-T-BUTYLPHENYLBORONIC ACID
Article Data:	4

Formula:	C₁₀H₁₅BO₂
Molecular Weight:	178.12
Synonyms:	m-T-Butylphenylboronic acid;
Density:	1.029 g/cm³
Melting Point:	221 °C(Solv: water (7732-18-5))
Boiling Point:	304.35 °C at 760 mmHg
Flash Point:	137.866 °C
Risk Codes:	41
Safety:	26-39
PSA:	40.46000
LogP:	0.66390

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Specification

The Boronic acid, [3-(1,1-dimethylethyl)phenyl]-, with the CAS registry number 560132-24-3, is also known as m-t-Butylphenylboronic acid. This chemical's molecular formula is C₁₀H₁₅BO₂ and molecular weight is 178.12. What's more, both its IUPAC name and systematic name are the same which is called (3-tert-Butylphenyl)boronic acid.

Physical properties about Boronic acid, [3-(1,1-dimethylethyl)phenyl]- are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 182; (6)ACD/BCF (pH 7.4): 172; (7)ACD/KOC (pH 5.5): 1444; (8)ACD/KOC (pH 7.4): 1366; (9)#H bond acceptors: 2; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.46 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 51.81 cm³; (15)Molar Volume: 173.001 cm³; (16)Surface Tension: 36.93 dyne/cm; (17)Density: 1.029 g/cm³; (18)Flash Point: 137.866 °C; (19)Enthalpy of Vaporization: 57.517 kJ/mol; (20)Boiling Point: 304.35 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)c1cccc(c1)B(O)O
(2) InChI: InChI=1S/C10H15BO2/c1-10(2,3)8-5-4-6-9(7-8)11(12)13/h4-7,12-13H,1-3H3
(3) InChIKey: OKBOGYOXEDEGOG-UHFFFAOYSA-N