(4-Pentylphenyl)boronic acid

Basic Information

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CAS Number

121219-12-3

Molecular Formula

C11H17BO2

Molecular Weight

192.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

82-84°C

Boiling Point

328℃ at 760 mmHg

Density

1.0100

Flash Point

152.2℃

Refractive Index

1.509

SMILES

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

InChI

InChI=1S/C11H17BO2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9,13-14H,2-5H2,1H3

InChIKey

UZRMPSOGFATLJE-UHFFFAOYSA-N

LogP

1.0991

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

142

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

Synonyms & References

English

AC-24820
4-Amylphenylboronic Acid
4-Pentylphenylboronic Acid
(4-pentylphenyl)boronic Acid
121219-12-3
CHEMBL1952296
BCP22757
J-515894
GS-6717
UZRMPSOGFATLJE-UHFFFAOYSA-N
DTXSID50404610
Boronic acid, (4-pentylphenyl)-
AB07922
CS-W002722
AM20050555
BDBM50364283
4-Pentylbenzeneboronic acid
SCHEMBL1509988
4-N-PENTYLBENZENEBORONIC ACID
AKOS BRN-0130
FT-0619317
4-n-Pentylphenylboronic acid
A804694
(4-pentylphenyl)boronic acid;4-Pentylphenylboronic Acid
AKOS004116473
4-n-pentylbenzene boronic acid
4-n-pentylphenyl boronic acid
BCP9000264
4-Amylbenzeneboronic Acid
MFCD00995151
4-N-Pentylphenylboronic acid, AldrichCPR

MDL Number

MFCD00995151

Customs Code

2931900090

FAQ

What regulatory guidelines apply to (4-Pentylphenyl)boronic acid (CAS: 121219-12-3)?

(4-Pentylphenyl)boronic acid (CAS: 121219-12-3) falls under the classification of chemicals subject to the Global Harmonized System (GHS) for Classification and Labeling of Chemicals. It is also regulated by the REACH regulations in the European Union. For use in the United States, FDA and EPA have specific requirements for the handling, storage, and disposal of this compound. Proper labeling, documentation, and safety measures must be followed to comply with these regulations.

Are there alternatives to (4-Pentylphenyl)boronic acid (CAS: 121219-12-3) in synthesis?

Yes, there are alternatives to (4-Pentylphenyl)boronic acid in synthesis, such as other boronic acids or boronate esters. Commonly, (3-Pentylphenyl)boronic acid and (2-Pentylphenyl)boronic acid are used as alternatives depending on the specific reaction requirements. Other boron-containing compounds can also serve as effective substitutes.

What is the market or research trend for (4-Pentylphenyl)boronic acid (CAS: 121219-12-3)?

The market for (4-Pentylphenyl)boronic acid (CAS: 121219-12-3) is steadily growing, driven by increasing demand in pharmaceutical and organic synthesis applications. Research trends are focusing on its applications in catalysis, drug discovery, and asymmetric synthesis. The compound's unique properties make it a valuable reagent in these fields, and ongoing studies are exploring its potential in developing new materials and technologies.

How should waste containing (4-Pentylphenyl)boronic acid (CAS: 121219-12-3) be handled?

Waste containing (4-Pentylphenyl)boronic acid (CAS: 121219-12-3) should be collected in appropriate containers and stored away from sources of ignition. Proper disposal methods include incineration in a licensed facility or professional waste disposal services. Environmental protection measures include ensuring that waste does not contaminate water sources and that all handling practices comply with local and national regulations to minimize environmental impact.