3-Formyl-2-thienylboronic acid

Inquiry

Molecular Formula:

C5H5BO3S

Molecular Weight:

155.97

CAS Number:

17303-83-2

Catalog Number:

17303-83-2

Product Information

Molecular Formula:

C5H5BO3S

Molecular Weight:

155.97

Description

Reactant for: Suzuki-Miyaura cross-coupling reactions.

Synonyms

(3-formylthiophen-2-yl)boronic acid

IUPAC Name

(3-formylthiophen-2-yl)boronic acid

Canonical SMILES

B(C1=C(C=CS1)C=O)(O)O

InChI

InChI=1S/C5H5BO3S/c7-3-4-1-2-10-5(4)6(8)9/h1-3,8-9H

InChI Key

HYXMHAHVUFTVFZ-UHFFFAOYSA-N

Boiling Point

381.2 °C at 760 mmHg

Melting Point

330 °C (dec.) (lit.)

Flash Point

Not applicable

Purity

96 %

Density

1.41 g/cm³

Appearance

White to tan powder

LogP

-0.75960

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.0052454 g/mol

Monoisotopic Mass

156.0052454 g/mol

Topological Polar Surface Area

85.8Å²

Heavy Atom Count

Formal Charge

Complexity

130

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-113429381-A	Bithiophene rotor derivative 3 '-acetyl- [2,2' -bithiophene ] -3-formaldehyde, preparation method and application	2021-06-30
EP-3385270-A1	Method for producing aromatic compound, and palladium complex	2015-12-02
JP-WO2017094655-A1	Method for producing aromatic compound and palladium complex	2015-12-02
US-2018369799-A1	Process for producing aromatic compound, and palladium complex	2015-12-02
WO-2017094655-A1	Method for producing aromatic compound, and palladium complex	2015-12-02
JP-6791166-B2	Method for producing aromatic compounds and palladium complex	2015-12-02
CN-108368142-B	Method for producing aromatic compound and palladium complex	2015-12-02
US-11045796-B2	Process for producing aromatic compound, and palladium complex	2015-12-02
AU-2015367977-A1	Biaryl derivative as GPR120 agonist	2014-12-24
AU-2015367977-B2	Biaryl derivative as GPR120 agonist	2014-12-24

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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