6-Methoxybenzo[b]thiophene-2-boronic acid supplier

Name
6-Methoxybenzo[b]thiophene-2-boronic acid
EINECS
CAS No. 182133-35-3
Article Data15
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point
Formula C₉H₉BO₃S
Boiling Point 423.068 °C at 760 mmHg
Molecular Weight 208.046
Flash Point 209.664 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (6-Methoxy-1-benzothiophen-2-yl)boronic acid;
PSA 77.93000
LogP 0.58970

6-Methoxybenzo[b]thiophene-2-boronic acid Specification

The 6-Methoxybenzo[b]thiophene-2-boronic acid has the CAS registry number 182133-35-3. This chemical's molecular formula is C₉H₉BO₃S and molecular weight is 208.04. What's more, its systematic name is (6-Methoxy-1-benzothiophen-2-yl)boronic acid.

Physical properties of 6-Methoxybenzo[b]thiophene-2-boronic acid are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 353; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 2304; (8)ACD/KOC (pH 7.4): 881; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 77.93 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 55.352 cm³; (15)Molar Volume: 153.601 cm³; (16)Polarizability: 21.943×10^-24cm³; (17)Surface Tension: 55.953 dyne/cm; (18)Density: 1.354 g/cm³; (19)Flash Point: 209.664 °C; (20)Enthalpy of Vaporization: 71.407 kJ/mol; (21)Boiling Point: 423.068 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c2sc1cc(OC)ccc1c2
(2)InChI: InChI=1S/C9H9BO3S/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7/h2-5,11-12H,1H3
(3)InChIKey: PNRDOYJXKKKYSU-UHFFFAOYSA-N

Product Name

6-Methoxybenzo[b]thiophene-2-boronic acid

6-Methoxybenzo[b]thiophene-2-boronic acid Specification

Related Products

Hot Products