Methoxyboronic Acid Pinacol Ester
Product Information
Molecular Formula
C7H15O3B
Molecular Weight
158.00
Description
Methoxyboronic Acid Pinacol Ester (CAS# 1195-66-0) is a useful research chemical.
Synonyms
2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name
2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILES
B1(OC(C(O1)(C)C)(C)C)OC
InChI
InChI=1S/C7H15BO3/c1-6(2)7(3,4)11-8(9-5)10-6/h1-5H3
InChI Key
JZZJAWSMSXCSIB-UHFFFAOYSA-N
Boiling Point
120 °C / 228 mmHg
Flash Point
108.0 °F - closed cup
Purity
96 %
Density
0.9642 g/mL at 25 °C
Storage
Inert atmosphere, 2-8 °C
Refractive Index
n20/D 1.4096
LogP
1.22170
Safety Information
Hazards
H226 - H319
Precautionary Statement
P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
158.1114245 g/mol
Monoisotopic Mass
158.1114245 g/mol
Topological Polar Surface Area
27.7Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
140
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
