(5-Acetamido-2-nitrophenyl)boronic acid

Basic Information

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CAS Number

78887-36-2

Molecular Formula

C8H9BN2O5

Molecular Weight

223.98 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

193-196

Boiling Point

317.4°C at 760 mmHg

Density

1.02

Flash Point

182.8°C

Refractive Index

1.516

SMILES

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B(C1=C(C=CC(=C1)NC(=O)C)[N+](=O)[O-])(O)O

InChI

InChI=1S/C8H9BN2O5/c1-5(12)10-6-2-3-8(11(15)16)7(4-6)9(13)14/h2-4,13-14H,1H3,(H,10,12)

InChIKey

VDKGDBOETDSECW-UHFFFAOYSA-N

LogP

-0.17080

Complexity

280

Safety Information

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Hazard Statement

Synonyms & References

English

(5-acetamido-2-nitrophenyl)boronic acid
78887-36-2
CS-0174865
A839524
BS-25945
FT-0641699
AKOS015837713
(5-ACETAMIDO-2-NITRO)BENZENEBORONIC ACID
2-(difluoromethyl)-ornithin
(5-acetamido-2-nitro-phenyl)boronic acid
D71363
AB26419
5-ACETAMIDO-2-NITROPHENYLBORONIC ACID
C8H9BN2O5
MFCD06659829
DTXSID40657330
(5-Acetamido-2-nitro)benzeneboronicacid
5-Acetamido-2-nitrobenzeneboronic acid
Boronic acid,[5-(acetylamino)-2-nitrophenyl]- (9CI)
(5-Acetamido-2-Nitro)Benzeneboronic Acid
5-Acetamido-2-nitrophenylboronic acid

MDL Number

MFCD06659829

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (5-Acetamido-2-nitrophenyl)boronic acid (CAS: 78887-36-2)?

(5-Acetamido-2-nitrophenyl)boronic acid is a crystalline compound with a molecular weight of approximately 265.12 g/mol. It is slightly soluble in water and ethanol, and exhibits moderate reactivity towards nucleophiles. This compound is stable under normal conditions but can degrade under strongly acidic or basic conditions. It is often used in organic synthesis and biochemistry due to its boronic acid functionality.

How is (5-Acetamido-2-nitrophenyl)boronic acid (CAS: 78887-36-2) typically synthesized?

(5-Acetamido-2-nitrophenyl)boronic acid can be synthesized via a multi-step process starting with 2-nitrophenol and acetic anhydride. The synthesis involves esterification followed by reduction of the nitro group to an amino group. Boronate ester formation is achieved using a boronate pinacol ester reagent. This method provides high yield and good selectivity for the desired product.

What industries use (5-Acetamido-2-nitrophenyl)boronic acid (CAS: 78887-36-2)?

(5-Acetamido-2-nitrophenyl)boronic acid is utilized in various industries, including pharmaceuticals, where it serves as a precursor in drug synthesis. In polymers, it can enhance properties such as thermal stability. It is also employed in sensor technology for detecting specific compounds and in semiconductor manufacturing for photoresist applications. Its versatile functionality makes it a valuable reagent in organic synthesis.

What precautions should be taken when handling (5-Acetamido-2-nitrophenyl)boronic acid (CAS: 78887-36-2)?

When handling (5-Acetamido-2-nitrophenyl)boronic acid, it is important to use appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize exposure. Handle with care to avoid skin contact and inhalation. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Safety Data Sheet (SDS) for detailed safety information and procedures.