4-Phenylthiophene-2-boronic acid supplier

Name
4-Phenylthiophene-2-boronic acid
EINECS
CAS No. 362612-68-8
Article Data2
CAS DataBase
Density 1.298 g/cm³
Solubility
Melting Point
Formula C₁₀H₉BO₂S
Boiling Point 383.427 °C at 760 mmHg
Molecular Weight 204.057
Flash Point 185.69 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-PHENYLTHIOPHENE-2-BORONIC ACID
PSA 68.70000
LogP 1.09490

4-Phenylthiophene-2-boronic acid Specification

The 4-Phenylthiophene-2-boronic acid, with the CAS registry number 362612-68-8, has the systematic name (4-phenyl-2-thienyl)boronic acid. Its molecular formula is C₁₀H₉BO₂S and its molecular weight is 204.05.

Other characteristics of the 4-Phenylthiophene-2-boronic acid can be summarised as followings: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.629; (4)ACD/LogD (pH 7.4): 2.564; (5)ACD/BCF (pH 5.5): 58.604; (6)ACD/BCF (pH 7.4): 50.47; (7)ACD/KOC (pH 5.5): 640.977; (8)ACD/KOC (pH 7.4): 552.009; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.7 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 56.136 cm³; (15)Molar Volume: 157.261 cm³; (16)Polarizability: 22.254×10^-24cm³; (17)Surface Tension: 55.19 dyne/cm; (18)Density: 1.298 g/cm³; (19)Flash Point: 185.69 °C; (20)Enthalpy of Vaporization: 66.66 kJ/mol; (21)Boiling Point: 383.427 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: B(c1cc(cs1)c2ccccc2)(O)O
2.InChI: InChI=1/C10H9BO2S/c12-11(13)10-6-9(7-14-10)8-4-2-1-3-5-8/h1-7,12-13H
3.InChIKey: SSHJHAPMTBLTLN-UHFFFAOYAR

Product Name

4-Phenylthiophene-2-boronic acid

4-Phenylthiophene-2-boronic acid Specification

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