[4-(Ethylcarbamoyl)phenyl]boronic acid

Basic Information

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CAS Number

850568-12-6

Molecular Formula

C9H12BNO3

Molecular Weight

193.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

143-146°C

Density

1.19

Refractive Index

1.545

SMILES

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CCNC(=O)c1ccc(cc1)B(O)O

InChI

InChI=1S/C9H12BNO3/c1-2-11-9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12)

InChIKey

DONAYSCOAAAZKS-UHFFFAOYSA-N

LogP

-0.8838999999999999

Topological Polar Surface Area

69.56 Å²

Hydrogen Bond Donor/Acceptor

3 / 4

Complexity

191

Safety Information

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Hazard Statement

Synonyms & References

English

4-(N-Ethylaminocarbonyl)phenylboronic acid
4-(Ethylcarbamoyl)benzeneboronic acid
[4-(ethylcarbamoyl)phenyl]boronic acid
4-(N-ETHYLAMINOCARBONYL)BENZENEBORONIC ACID
Boronic acid,B-[4-[(ethylamino)carbonyl]phenyl]-
4-(ethylcarbamoyl)phenylboronic acid
B-[4-[(ETHYLAMINO)CARBONYL]PHENYL]-BORONIC ACID
DONAYSCOAAAZKS-UHFFFAOYSA-N
4-ethylcarbamoyl-phenylboronic acid
4-ethylaminocarbonyl-phenylboronic acid
AB14326
BC001016
ST

MDL Number

MFCD03411954

Customs Code

2931900090

FAQ

What is [4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6)?

[4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6) is a chemical compound with a boronic acid group attached to a phenyl ring substituted with an ethyl carbamoyl group. It is a key reagent in organic synthesis and is widely used in pharmaceutical and industrial applications due to its unique reactivity and functional groups.

What are the main uses of [4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6)?

[4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6) is primarily used in the synthesis of complex organic molecules, particularly in the field of pharmaceuticals for drug discovery and development. It also finds applications in industrial chemistry for the production of various materials and in research for its catalytic properties.

Is [4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6) safe?

When handled properly, [4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6) is considered safe. However, it is important to follow all safety guidelines, including wearing appropriate personal protective equipment (PPE) such as gloves and goggles, and ensuring proper ventilation. Storage in a cool, dry place away from heat sources and direct sunlight is recommended to prevent degradation.

How should [4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6) be stored?

[4-(Ethylcarbamoyl)phenyl]boronic acid (CAS: 850568-12-6) should be stored in a cool, dry environment with a temperature range of 15-25°C and a relative humidity of less than 60%. It should be kept away from direct sunlight and heat sources to prevent degradation. Store in a tightly sealed container to protect it from moisture and air exposure.