1,3,2-Benzodioxaborole

Basic Information

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CAS Number

274-07-7

Molecular Formula

C6H5BO2

Molecular Weight

119.92 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

12 ºC

Boiling Point

50 ºC (50 mmHg)

Water Solubility

Reacts with water.

Solubility

Miscible with diethyl ether, tetrahydrofuran, dichloromethane, chloroform, carbon tetrachloride, toluene, and benzene.

Refractive Index

1.506-1.508

SMILES

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[B]1OC2=CC=CC=C2O1

InChI

InChI=1S/C6H5BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,7H

InChIKey

CENMEJUYOOMFFZ-UHFFFAOYSA-N

LogP

0.7242999999999999

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

95.2

Safety Information

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GHS Hazard Pictograms

H225

H314

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 3 Class 3

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Benzo[d][1,3,2]dioxaborole
1,3,2-Benzodioxaborole
SCHEMBL7747
AMY14855
DTXSID3059769
274-07-7
A819050
Benzo[1,3,2]dioxaborole
catechol borane
Catecholborane, 50% w/w in toluene
AKOS015909822
CID 67506
1,3,2$l^{2}-benzodioxaborole
Pyrocatecholborane
Catecholborane, 98%
AS-55580
CB; Catecholatoborane
Q730606
BCP15959
Catecholborane (Technical Grade)
NS00028297
Benzcatechinborane
Catechol borane 50% in Toluene
ZDQWVKDDJDIVAL-UHFFFAOYSA-N
MFCD00005846
Catecholatoborane
FT-0606485
Catecholborane
CATECHOLBORANE [MI]
2H-1,3,2-benzodioxaborole
1,3,2-benzodioxaborolane

MDL Number

MFCD00005846

Customs Code

2934999090

FAQ

What regulatory guidelines apply to 1,3,2-Benzodioxaborole (CAS: 274-07-7)?

1,3,2-Benzodioxaborole (CAS: 274-07-7) is subject to various regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which may require specific handling, storage, and transportation labels. In the European Union, this compound falls under the REACH regulation, which requires registration and reporting for certain quantities. Additionally, the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific requirements for its use and disposal, depending on its intended application and concentration.

Are there alternatives to 1,3,2-Benzodioxaborole (CAS: 274-07-7) in synthesis?

There are several alternatives to 1,3,2-Benzodioxaborole (CAS: 274-07-7) in synthesis. For example, 1,3,2-Benzodithiadiazaborole and 1,3,2-Benzodithiazaborole are related compounds that can serve similar roles in certain reactions. In addition, other boron-containing compounds like boronic acids and borate esters can be used as reagents in place of 1,3,2-Benzodioxaborole, depending on the specific synthetic requirements and reaction conditions.

What is the market or research trend for 1,3,2-Benzodioxaborole (CAS: 274-07-7)?

The market and research trends for 1,3,2-Benzodioxaborole (CAS: 274-07-7) are closely linked to its applications in organic synthesis and materials science. Recent trends include increasing research into its use as a ligand in catalysis and as a building block in the construction of complex molecules. The compound's unique properties make it particularly useful in developing new materials and pharmaceuticals. As the field of organic synthesis advances, the demand for 1,3,2-Benzodioxaborole is expected to grow, driven by its versatility and effectiveness in various chemical transformations.

How should waste containing 1,3,2-Benzodioxaborole (CAS: 274-07-7) be handled?

Waste containing 1,3,2-Benzodioxaborole (CAS: 274-07-7) should be managed according to local and international regulations. Typically, it should be collected in appropriate containers and stored under controlled conditions to prevent degradation or reaction with other chemicals. For disposal, it is advisable to consult with a professional waste management service that specializes in hazardous waste. Proper incineration or chemical treatment may be necessary to ensure the safe and environmentally friendly disposal of the waste, with appropriate precautions taken to protect equipment and personnel.