3-(Dihydroxyboryl)benzoic acid

Basic Information

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CAS Number

25487-66-5

Molecular Formula

C7H7BO4

Molecular Weight

165.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

243-247 °C

Boiling Point

434.5°C at 760 mmHg

Water Solubility

2.5 g/100 mL

Flash Point

216.585℃

SMILES

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

InChI

InChI=1S/C7H7BO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H,9,10)

InChIKey

DBVFWZMQJQMJCB-UHFFFAOYSA-N

LogP

-0.9354000000000005

Topological Polar Surface Area

77.76 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

171

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

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

BDBM50067893
3-(dihydroxyboranyl)benzoic acid
AB01578
Z1203161777
3-carboxy benzene boronic acid
3-Carboxyphenylboronic acid
AC-2892
25487-66-5
AM20040035
3-(dihydroxyborane)benzoic acid
C2028
3-carboxyphenyl boronic acid
HY-Y0395
AS-2283
3-Carboxyphenylboronicacid
(3-carboxyphenyl)boronic acid
MFCD00036833
FT-0601781
EN300-78437
3-phenyl ester boronic acid
3-Carboxybenzeneboronic Acid
BCP26995
NCGC00249471-01
3-carboxy-phenyl-boronic acid
J-512161
SY003279
m-carboxyphenyl boronic acid
CHEMBL421765
3-carboxy phenylboronic acid
AKOS000264855
3-carboxyphenyl-boronic acid

MDL Number

MFCD00036833

Customs Code

2931900090

FAQ

What is 3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5)?

3-(Dihydroxyboryl)benzoic acid, with the CAS number 25487-66-5, is an organic compound containing a boryl group attached to a benzene ring. It is also known as 3-benzoylboronic acid and has the chemical formula C8H10B2O5. This compound is characterized by its acidic properties due to the carboxylic acid group and its reactivity due to the boryl functionality. It is commonly used as a building block in organic synthesis and is relevant in the development of pharmaceutical and industrial products.

What are the main uses of 3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5)?

3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5) is widely utilized in pharmaceutical research for drug development and as a precursor in the synthesis of various boric acid derivatives. It also finds applications in the chemical industry for creating functional materials and in organic chemistry for catalytic processes. Additionally, it is used in research involving borylation reactions and as a component in certain specialty chemicals.

Is 3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5) safe?

3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5) is generally considered safe when handled properly. However, it is important to follow standard laboratory safety protocols, including wearing personal protective equipment (PPE) such as gloves and goggles. While it is not classified as highly toxic, prolonged exposure or ingestion may pose health risks. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines.

How should 3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5) be stored?

3-(Dihydroxyboryl)benzoic acid (CAS: 25487-66-5) should be stored in a cool, dry, and well-ventilated place, away from moisture and direct light. It is best kept in a sealed container made of inert material such as glass or polyethylene to prevent contamination and degradation. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prolong shelf life.