Butylboronic acid

Basic Information

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CAS Number

4426-47-5

Molecular Formula

C4H11BO2

Molecular Weight

101.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

90-92 °C <br />90-92 °C

Boiling Point

189.2℃ at 760 mmHg

Density

0.9140

Water Solubility

ca 2.5 g/100 mL

Flash Point

68.2°C

Refractive Index

1.4

SMILES

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B(CCCC)(O)O

InChI

InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3

InChIKey

QPKFVRWIISEVCW-UHFFFAOYSA-N

LogP

0.2592999999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

38.7

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Air Sensitive & Hygroscopic

Synonyms & References

English

QPKFVRWIISEVCW-UHFFFAOYSA-
AKOS005254957
N-butylboronate
n-Butaneboronic acid
MFCD00002106
butaneboronic acid
4-butylboronic acid
STR06559
DB02664
4426-47-5
FT-0635287
BUTYLBORONIC ACID
BDBM50067884
Butylboronic acid, for GC derivatization, >=96.0% (T)
SY012742
BCP9000049
1-Butaneboronic acid
EN300-179386
Z1147227739
W-106206
1-Butyldihydroxyborane
Butylboronic acid, 97%
Q27093616
InChI=1/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3
n-Butylboronic acid
CS-W000932
Boronic acid, butyl-
1-butylboronicacid
B0529
CHEMBL31962
F0001-1206

MDL Number

MFCD00002106

FAQ

What are the physical and chemical properties of Butylboronic acid (CAS: 4426-47-5)?

Butylboronic acid is a colorless solid with a molecular weight of approximately 150.2 g/mol. It has a melting point of 48-50°C and is poorly soluble in water but freely soluble in organic solvents like ethanol and acetone. Chemically, it is a weak acid and can participate in various reactions such as esterification and condensation reactions.

How is Butylboronic acid (CAS: 4426-47-5) typically synthesized?

Butylboronic acid is typically synthesized by the Grignard reaction of butyl magnesium bromide with boron tribromide. The reaction is carried out in an inert solvent like THF at low temperature. This method provides a high yield and good selectivity for the boronic acid product.

What industries use Butylboronic acid (CAS: 4426-47-5)?

Butylboronic acid is used in various industries, particularly in pharmaceuticals for the synthesis of biologically active compounds, in polymers for the modification of polymer properties, in sensors for detecting specific chemical species, and in the semiconductor industry for the production of high-purity materials.

What precautions should be taken when handling Butylboronic acid (CAS: 4426-47-5)?

Butylboronic acid should be handled with care. It is recommended to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up immediately using the appropriate methods and materials. For detailed safety information, refer to the safety data sheet (SDS) for Butylboronic acid (CAS: 4426-47-5).