Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

Safety Information

275883

Sigma-Aldrich

3-Chloro-2-nitrobenzoic acid

97%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
ClC6H3(NO2)CO2H
CAS Number:
4771-47-5
Molecular Weight:
201.56
Beilstein:
2109828
EC Number:
225-313-1
MDL number:
MFCD00007087
UNSPSC Code:
12352100
PubChem Substance ID:
24856678
NACRES:
NA.22

Assay

97%

mp

237-239 °C (lit.)

SMILES string

OC(=O)c1cccc(Cl)c1[N+]([O-])=O

InChI

1S/C7H4ClNO4/c8-5-3-1-2-4(7(10)11)6(5)9(12)13/h1-3H,(H,10,11)

InChI key

VCHSXYHBMFKRBK-UHFFFAOYSA-N

Looking for similar products? Visit Product Comparison Guide

General description

Hydrogen-bonded structures of isomeric compounds of 3-chloro-2-nitrobenzoic acid with quinoline have been investigated[1].

Application

3-Chloro-2-nitrobenzoic acid has been used in the preparation of:
  • 2-amino-3-chlorobenzonitrile[2]
  • 3-chloro-2-nitrobenzaldehyde[3]

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

275883-VAR:
275883-1G:
275883-BULK:
275883-50G:
275883-5G:
275883-25G:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCH8020
MKBH1196V
MKBC8144
09726MD
11014LD

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Kazuma Gotoh et al.
Acta crystallographica. Section C, Crystal structure communications, 65(Pt 10), o534-o538 (2009-10-07)
The structures of four isomeric compounds, all C7H4ClNO4.C9H7N, of quinoline with chloro- and nitro-substituted benzoic acid, namely, 2-chloro-5-nitrobenzoic acid-quinoline (1/1), (I), 3-chloro-2-nitrobenzoic acid-quinoline (1/1), (II), 4-chloro-2-nitrobenzoic acid-quinoline (1/1), (III), and 5-chloro-2-nitrobenzoic acid-quinoline (1/1), (IV), have been determined at 185 K.
The synthesis and in vitro acetylcholinesterase and butyrylcholinesterase inhibitory activity of tacrine (Cognex?) derivaties.
Gregor VE, et al.
Bioorganic & Medicinal Chemistry Letters, 2(8), 861-864 (1992)
Tadashi Kataoka et al.
Bioorganic & medicinal chemistry, 12(9), 2397-2407 (2004-04-15)
Condensation of nitrobenzaldehydes 3 and alpha-[o-(p-methoxybenzylthio)benzoyl] sulfoxide 4 gave alpha-sulfinyl enones 5. Treatment of 5 with formic acid caused cyclization followed by debenzylation to afford 3-(methylsulfinyl)thioflavanones 6. Double-bond formation with elimination of methanesulfenic acid was performed by refluxing 6 in

Questions

Reviews

No rating value

Active Filters

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service