5-tert-Butylthiophene-2-boronic acid supplier

Name
5-tert-Butylthiophene-2-boronic acid
EINECS
CAS No. 495382-48-4
Density 1.129 g/cm³
Solubility
Melting Point
Formula C₈H₁₃BO₂S
Boiling Point 312.2 °C at 760 mmHg
Molecular Weight 184.0636
Flash Point 142.614 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-TERT-BUTYLTHIOPHENE-2-BORONIC ACID;(5-tert-butylthiophen-2-yl)boronic acid
PSA 68.70000
LogP 0.72540

5-tert-Butylthiophene-2-boronic acid Specification

The CAS registry number of 5-tert-Butylthiophene-2-boronic acid is 495382-48-4. The molecular formula of it is C₈H₁₃BO₂S and molecular weight is 184.0636. Its systematic name is called (5-tert-butyl-2-thienyl)boronic acid.

Physical properties about this chemical are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.617; (4)ACD/LogD (pH 7.4): 2.595; (5)ACD/BCF (pH 5.5): 57.43; (6)ACD/BCF (pH 7.4): 54.6; (7)ACD/KOC (pH 5.5): 632.008; (8)ACD/KOC (pH 7.4): 600.866; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 49.952 cm³; (14)Molar Volume: 163.008 cm³; (15)Surface Tension: 40.55 dyne/cm; (16)Density: 1.129 g/cm³; (17)Flash Point: 142.614 °C; (18)Enthalpy of Vaporization: 58.406 kJ/mol; (19)Boiling Point: 312.2 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(s1)C(C)(C)C)(O)O
(2)InChI: InChI=1/C8H13BO2S/c1-8(2,3)6-4-5-7(12-6)9(10)11/h4-5,10-11H,1-3H3
(3)InChIKey: QIZSEUWAQZNLDY-UHFFFAOYAE

Product Name

5-tert-Butylthiophene-2-boronic acid

5-tert-Butylthiophene-2-boronic acid Specification

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