(3-Nitrophenyl)boronic acid

Basic Information

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CAS Number

13331-27-6

Molecular Formula

C6H6BNO4

Molecular Weight

166.93 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

284-285 °C (dec.)

Boiling Point

363.3 °C at 760 mmHg

Density

1.4000

Flash Point

173.5℃

Refractive Index

1.573

SMILES

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

InChI

InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H

InChIKey

ZNRGSYUVFVNSAW-UHFFFAOYSA-N

LogP

-0.20220

Complexity

169

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Hygroscopic

Synonyms & References

English

dihydroxy(3-nitrophenyl)borane
SY015120
m-Nitrophenylboronic acid
AC-5363
(3-nitrophenyl)-boronic acid
13331-27-6
3-Nitro Phenylboric Acid
m-nitrophenyl boronic acid
AKOS000265274
AS-2715
WLN: WNR CBQQ
A806593
SCHEMBL14071499
BDBM50067887
NSC401539
NSC59739
AB00854
JLC765W4PN
NSC 59739
EN300-54327
Boronic acid, (3-nitrophenyl)-
m-Nitrobenzeneboronic acid
NSC-401539
NCGC00092010-02
Z808609458
3-nitrobenzene boronic acid
3-Nitrophenylboronic acid, >=97%
AI3-60393
m-nitophenyl boronic acid
3-Nitrobenzeneboronic acid
3-nitrophenyl-boronic acid

MDL Number

MFCD00007193

Customs Code

29310095

FAQ

What is (3-Nitrophenyl)boronic acid (CAS: 13331-27-6)?

(3-Nitrophenyl)boronic acid (CAS: 13331-27-6) is an organic compound with the molecular formula C8H6NO3B. It is a colorless solid at room temperature, slightly soluble in water, and has a pungent odor. This compound is often used in organic synthesis, particularly in Suzuki coupling reactions. It is also employed in the development of pharmaceuticals and as a reagent in various analytical techniques.

What are the main uses of (3-Nitrophenyl)boronic acid (CAS: 13331-27-6)?

(3-Nitrophenyl)boronic acid (CAS: 13331-27-6) is primarily used in organic synthesis, particularly in the Suzuki coupling reaction for cross-coupling of organoboronic acids with haloarenes. It is also utilized in the pharmaceutical industry for the synthesis of drug intermediates and as a reagent in analytical chemistry for the detection and quantification of organic compounds.

Is (3-Nitrophenyl)boronic acid (CAS: 13331-27-6) safe?

(3-Nitrophenyl)boronic acid (CAS: 13331-27-6) should be handled with caution. It is not considered highly toxic, but prolonged exposure to the compound can cause irritation to the skin and eyes. Protective measures include wearing gloves, goggles, and a lab coat. It is important to avoid inhalation and ingestion. Ensure adequate ventilation when handling the compound and dispose of waste materials safely.

How should (3-Nitrophenyl)boronic acid (CAS: 13331-27-6) be stored?

(3-Nitrophenyl)boronic acid (CAS: 13331-27-6) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage temperature should be maintained below 25°C to ensure stability. Avoid contact with incompatible materials such as acids and oxidizing agents. Store the compound in a secure location out of reach of children and unauthorized personnel.