3,5-Dichlorophenylboronic Acid

Inquiry

Molecular Formula:

C6H5Cl2O2B

Molecular Weight:

190.82

CAS Number:

67492-50-6

Catalog Number:

67492-50-6

Product Information

Molecular Formula:

C6H5Cl2O2B

Molecular Weight:

190.82

Description

Reactant involved in: Suzuki-Miyaura cross-coupling; Trifluoromethylation; Intramolecular aromatic carbenoid insertion of biaryldiazoacetates; Cyanation for the synthesis of aromatic nitriles; Lithiation of dihalophenyl dioxazaborocines for synthesis of functionalized dihalophenyl boronic acid.

Synonyms

(3,5-dichlorophenyl)boronic acid; (3,5-dichlorophenyl)boronic acid

IUPAC Name

(3,5-dichlorophenyl)boronic acid

Canonical SMILES

B(C1=CC(=CC(=C1)Cl)Cl)(O)O

InChI

InChI=1S/C6H5BCl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H

InChI Key

DKYRKAIKWFHQHM-UHFFFAOYSA-N

Boiling Point

351.7 °C at 760 mmHg

Flash Point

Not applicable

Purity

98 %

Density

1.47 g/cm³

LogP

0.67320

Safety Information

Hazards

H315 - H319 - H335

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

189.9759650 g/mol

Monoisotopic Mass

189.9759650 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

124

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
CN-113788846-A	Tricyclic thiazolo [5,4-d ] pyrimidone derivative and application thereof	2021-10-27
CN-113511970-A	Synthetic method of aryl-substituted alkyne	2021-06-10
CN-113285038-A	Organic electroluminescent device and electronic device	2021-04-28
CN-112939728-A	Preparation method of frainer intermediate 1, 3-dichloro-alpha- (trifluoromethyl) styrene	2021-02-03
CN-112011052-A	Functional boron-containing polyarylene sulfide copolymer and preparation method thereof	2020-09-11
CN-112011052-B	Functional boron-containing polyarylene sulfide copolymer and preparation method thereof	2020-09-11
WO-2022036188-A1	Phd inhibitor compounds, compositions, and methods of use	2020-08-14
CN-111620882-A	Novel compound for organic electroluminescent device and application	2020-06-12
CN-111620882-B	Novel compound for organic electroluminescent device and application	2020-06-12
CN-111620883-A	Novel compound for organic electroluminescent device	2020-06-12

Literatures

PMID	Publication Date	Title	Journal
1683	1975-02-01	Insensitivity of bacterial nucleic acid biosyntheses to a morphine-like narcotic	Die Naturwissenschaften

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