[2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid

Basic Information

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CAS Number

603122-80-1

Molecular Formula

C8H8BClO4

Molecular Weight

214.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

No data available

Melting Point

140-142

Boiling Point

386.6±52.0 °C at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

187.6±30.7 °C

Refractive Index

1.551

SMILES

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B(C1=C(C=C(C=C1)C(=O)OC)Cl)(O)O

InChI

InChI=1S/C8H8BClO4/c1-14-8(11)5-2-3-6(9(12)13)7(10)4-5/h2-4,12-13H,1H3

InChIKey

ITEQHBSWRMYSRP-UHFFFAOYSA-N

LogP

-0.1936

Topological Polar Surface Area

66.76 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

212

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

Synonyms & References

English

MFCD08689530
PS-9495
2-chloro-4-(methoxycarbonyl)phenylboronic acid
SY046537
2-Chloro-4-(methoxycarbonyl)phenyl boronic acid
603122-80-1
(2-chloro-4-(methoxycarbonyl)phenyl)boronic acid
2-Chloro-4-(methoxycarbonyl)benzeneboronic acid
(2-chloro-4-methoxycarbonyl-phenyl)boronic acid
2-chloro-4-(methoxycarbonyl)benzene boronic acid
FT-0698669
methyl-4-borono-3-chloro benzoate
[2-chloro-4-(methoxycarbonyl)phenyl]boronic acid
AKOS015920063
DTXSID70623189
CS-W005393
PB43136
(2-chloro-4-(methoxycarbonyl)phenyl)boronicacid
Methyl 4-borono-3-chlorobenzoate
J-508692
AMY13280
C3224
(2-chloro-4-methoxycarbonylphenyl)boronic acid
A832683
2-Chloro-4-(methoxycarbonyl)phenylboronic Acid (contains varying amounts of Anhydride)
SCHEMBL516419
ITEQHBSWRMYSRP-UHFFFAOYSA-N
EN300-7379785
2-Chloro-4-(methoxycarbonyl)phenylboronic acid
2-Chloro-4-methoxycarbonylphenylboronic acid
2-Chloro-4-(methoxycarbonyl)benzeneboronic Acid (contains varying amounts of Anhydride)

MDL Number

MFCD08689530

FAQ

What are the physical and chemical properties of [2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid (CAS: 603122-80-1)?

[2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid is a crystalline solid with a molecular weight of approximately 252.02 g/mol. It has a low water solubility, and its solubility in organic solvents is moderate. The compound is moderately reactive, particularly towards nucleophiles. It is stable under normal laboratory conditions but should be stored in a dry environment to prevent hydrolysis.

How is [2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid (CAS: 603122-80-1) typically synthesized?

[2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid is commonly synthesized via a Grignard reaction followed by a boronation step. The Grignard reagent is prepared from chlorophenol with magnesium, and the boronic acid is generated by treating the Grignard reagent with triphenylborane in the presence of a base. This method provides good yield and selectivity.

What industries use [2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid (CAS: 603122-80-1)?

[2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid finds applications in pharmaceuticals for drug synthesis, particularly in the area of asymmetric synthesis. It is also used in the synthesis of polymers, sensors, and semiconductors due to its reactivity and functional groups.

What precautions should be taken when handling [2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid (CAS: 603122-80-1)?

When handling [2-Chloro-4-(methoxycarbonyl)phenyl]boronic acid, it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coat. Ensure to work in a well-ventilated area or fume hood to avoid inhalation of dust. Spills should be cleaned up using appropriate absorbents, and disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed information.