2,5-Dimethylphenylboronic Acid

Inquiry

Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

CAS Number:

85199-06-0

Catalog Number:

85199-06-0

Product Information

Molecular Formula:

C8H11O2B

Molecular Weight:

149.98

Description

Reactant for: Friedel-Crafts alkylation; Suzuki-Miyaura coupling.

Synonyms

(2,5-dimethylphenyl)boronic acid; (2,5-dimethylphenyl)boronic acid

IUPAC Name

(2,5-dimethylphenyl)boronic acid

Canonical SMILES

B(C1=C(C=CC(=C1)C)C)(O)O

InChI

InChI=1S/C8H11BO2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5,10-11H,1-2H3

InChI Key

OOMZKLJLVGQZGV-UHFFFAOYSA-N

Boiling Point

305.1 ℃ at 760 mmHg

Melting Point

186-191 ℃ (lit.)

Flash Point

Not applicable

Purity

≥ 95 %

Density

1.07 g/cm³

LogP

-0.01680

Safety Information

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

Signal Word

Warning

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

150.0852098 g/mol

Monoisotopic Mass

150.0852098 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

127

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2022047230-A1	Compounds, compositions and methods for histone lysine demethylase inhibition	2020-08-28
JP-2022022902-A	Compound with fluorene skeleton	2020-07-10
CN-111559990-A	Micromolecular oxathiazine derivative and application thereof	2020-05-29
CN-111559990-B	Micromolecular oxathiazine derivative and application thereof	2020-05-29
WO-2021238587-A1	Micromolecular oxathiazine derivative and use thereof	2020-05-29
CN-111410603-A	Benzanthrone derivative, preparation method thereof and application thereof in functional pigment	2020-04-20
TW-202134398-A	Organic electroluminescent devices and material thereof	2020-03-12
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	2020-01-10
WO-2021142252-A1	Tricyclic compounds as inhibitors of kras	2020-01-10
JP-2021031401-A	Compounds having a fluorene skeleton and methods for producing them	2019-08-19

Literatures

PMID	Publication Date	Title	Journal
5826	1975-02-01	[The meaning of the normal values of the ejaculate for fertility]	Zeitschrift fur Hautkrankheiten

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The dilution calculator equation

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