2,5-Dimethoxyphenylboronic Acid

Product Information

Molecular Formula:
C8H11O4B
Molecular Weight:
181.98
Description
Reactant for: Suzuki-Miyaura and Negishi couplings.
Synonyms
(2,5-dimethoxyphenyl)boronic acid; (2,5-dimethoxyphenyl)boronic acid
IUPAC Name
(2,5-dimethoxyphenyl)boronic acid
Canonical SMILES
B(C1=C(C=CC(=C1)OC)OC)(O)O
InChI
InChI=1S/C8H11BO4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5,10-11H,1-2H3
InChI Key
QOZLFNQLIKOGDR-UHFFFAOYSA-N
Boiling Point
374.5 °C at 760 mmHg
Melting Point
95-98 °C (lit.)
Flash Point
Not applicable
Purity
≥ 95 %
Density
1.19 g/cm3
Storage
Keep in dark place, Sealed in dry, Room Temperature
LogP
-0.61640

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
182.0750390 g/mol
Monoisotopic Mass
182.0750390 g/mol
Topological Polar Surface Area
58.9Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
153
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

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Literatures

PMID Publication Date Title Journal
11968014 2002-01-01 Real-time quantitative RT-PCR analysis of human bone marrow stromal cells during osteogenic differentiation in vitro Journal of cellular biochemistry
4630 1976-04-01 Editorial: International Urodynamics society The Journal of urology
5184 1976-04-01 Acid proteases from species of Mucor. IV. Hydrogen-tritium exchange of Mucor miehei protease Canadian journal of biochemistry
5927 1975-01-01 [Complications of lignocaine] Annales de l'anesthesiologie francaise
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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