Skip to Content
Merck

8.00645

3-Nitrobenzoic acid

for synthesis

Synonym(s):

3-Nitrobenzoic acid

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
3-(NO2)C6H4COOH
CAS Number:
121-92-6
Molecular Weight:
167.12
UNSPSC Code:
12352106
EC Index Number:
204-508-5
NACRES:
NA.22
MDL number:
MFCD00007251

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

3-Nitrobenzoic acid, for synthesis

SMILES string

[N+](=O)([O-])c1cc(ccc1)C(=O)O

InChI

1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)

InChI key

AFPHTEQTJZKQAQ-UHFFFAOYSA-N

assay

≥99% (HPLC)

form

crystals

autoignition temp.

490 °C

pH

3 (20 °C, 5 g/L in H2O, aqueous suspension)

mp

139-142 °C

transition temp

flash point 190 °C

solubility

3 g/L

density

1.49 g/cm3 at 20 °C

bulk density

700 kg/m3

storage temp.

no temp limit

Quality Level

200

Related Categories

Analysis Note

Assay (HPLC, area%): ≥ 99 %
Melting range
- lower value:
≥ 139 °C
- upper value: ≤ 143 °C
Identity (IR): passes test

Application

  • CO–CRYSTAL SYNTHESIS AND STRUCTURAL ANALYSIS OF PARACETAMOL AND 3–NITROBENZOIC ACID: This study focuses on the co-crystallization of paracetamol with 3-nitrobenzoic acid, providing insights into the structural dynamics of the resulting compound (PP Chahande, 2023).
  • Photocatalytic degradation of methylene blue dye and electrocatalytic water oxidation over copper (II) complex with mixed ligands: This study explores the use of a copper (II) complex with 3-nitrobenzoic acid in photocatalytic degradation and electrocatalytic water oxidation (M Jamil et al., 2024).

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319

Hazard Classifications

Eye Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

373.3 °F - Pensky-Martens closed cup

flash_point_c

189.6 °C - Pensky-Martens closed cup

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

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

Visit the Document Library

Global Trade Item Number

SKUGTIN
8.00645.025004022536361277

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