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2516-96-3

2516-96-3 structural image
Product Name: 2-Chloro-5-nitrobenzoic acid
Formula: C7H4ClNO4
Synonyms: 2-Chloro-5-nitrobenzoic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Pale yellow odorless powder; [Alfa Aesar MSDS]
Vapor Pressure 0.0000189 [mmHg]
Chemical Classes Nitrogen Compounds -> Nitrobenzoic Acids

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H317:Sensitisation, Skin
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P272:Contaminated work clothing should not be allowed out of the workplace.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 201.56 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 200.9828853 g/mol
Monoisotopic Mass 200.9828853 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 227
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

Description

2-Chloro-5-nitrobenzoic acid undergoes microwave-assisted, regioselective amination reaction with aliphatic and aromatic amines to yield N-substituted 5-nitroanthranilic acid derivatives. It acts as ligand and forms a red luminescent one dimensional coordination polymer with Eu(III).

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