2-Fluoro-5-formylphenylboronic acid pinacol ester

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Product Information

Molecular Formula
C13H16BFO3
Molecular Weight
250.07
Description
2-Fluoro-5-formylphenylboronic acid pinacol ester (CAS# 1112208-82-8) is a useful research chemical.
Synonyms
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
IUPAC Name
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)C=O)F
InChI
InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-7-9(8-16)5-6-11(10)15/h5-8H,1-4H3
InChI Key
WHYMLQVABFAGEK-UHFFFAOYSA-N
Melting Point
35-40 °C
Flash Point
230.0 °F - closed cup
Purity
95 %
Storage
2-8 °C
LogP
1.93740

Safety Information

Hazards
H315 - H319
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
250.1176527 g/mol
Monoisotopic Mass
250.1176527 g/mol
Topological Polar Surface Area
35.5Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
316
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

Patents

Publication Number Title Priority Date
WO-2011096461-A1 Quinoline derivative 2010-02-03
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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