4-Hexylthiophene-2-boronic acid supplier

Name
4-Hexylthiophene-2-boronic acid
EINECS
CAS No. 748763-44-2
Article Data2
CAS DataBase
Density 1.085 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₇BO₂S
Boiling Point 359.737 °C at 760 mmHg
Molecular Weight 212.121
Flash Point 171.363 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Hexylthiophene-2-boronic acid;
PSA 68.70000
LogP 1.55070

4-Hexylthiophene-2-boronic acid Specification

The 4-Hexylthiophene-2-boronic acid, with the CAS registry number of 748763-44-2, is also known as 4-n-Hexylthiophene-2-boronic acid. Its molecular formula is C₁₀H₁₇BO₂S and molecular weight is 212.11678. What's more, its systematic name is (4-Hexyl-2-thienyl)boronic acid.

Physical properties about the 4-Hexylthiophene-2-boronic acid are: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.9; (4)ACD/LogD (pH 7.4): 3.873; (5)ACD/BCF (pH 5.5): 541.725; (6)ACD/BCF (pH 7.4): 508.744; (7)ACD/KOC (pH 5.5): 3150.213; (8)ACD/KOC (pH 7.4): 2958.423; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 68.7 Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 59.208 cm³; (15)Molar Volume: 195.437 cm³; (16)Surface Tension: 41.227 dyne/cm; (17)Density: 1.085 g/cm³; (18)Flash Point: 171.363 °C; (19)Enthalpy of Vaporization: 63.876 kJ/mol; (20)Boiling Point: 359.737 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: B(c1cc(cs1)CCCCCC)(O)O
(2) InChI: InChI=1/C10H17BO2S/c1-2-3-4-5-6-9-7-10(11(12)13)14-8-9/h7-8,12-13H,2-6H2,1H3
(3) InChIKey: UODUZZODASYJTE-UHFFFAOYAV

Product Name

4-Hexylthiophene-2-boronic acid

4-Hexylthiophene-2-boronic acid Specification

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