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Merck

72910

4-Nitrobenzoic acid

purum, ≥98.0% (HPLC)

Synonym(s):

p-Nitrobenzoic acid

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About This Item

Linear Formula:
O2NC6H4CO2H
CAS Number:
62-23-7
Molecular Weight:
167.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
329764455
EC Number:
200-526-2
Beilstein/REAXYS Number:
973593
MDL number:
MFCD00007352

Key Documents

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Product Name

4-Nitrobenzoic acid, purum, ≥98.0% (HPLC)

InChI key

OTLNPYWUJOZPPA-UHFFFAOYSA-N

InChI

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

SMILES string

OC(=O)c1ccc(cc1)[N+]([O-])=O

grade

purum

assay

≥98.0% (HPLC)

form

crystals

mp

237-240 °C (lit.)
239-242 °C

functional group

carboxylic acid
nitro

Quality Level

200

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Application

4-Nitrobenzoic acid can be used:
  • As a co-catalyst with thioxotetrahydropyrimidinone for the α-alkylation of ketones.
  • For the synthesis of mononuclear zinc carboxylate complexes by reacting with zinc sulfate heptahydrate and NaOH.
  • As an additive in the room temperature catalytic Wittig reaction.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Muta. 2 - Repr. 2 - Skin Irrit. 2

Storage Class

13 - Non Combustible Solids

wgk

WGK 2

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN7453
BCCN3383
BCCN1899
BCCL6069
BCCM2289

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Enantioselective Organocatalytic ?-Alkylation of Ketones by SN1-Type Reaction of Alcohols.
Trifonidou M and Kokotos CG
European Journal of Organic Chemistry, 2012(8), 1563-1568 (2012)
Breaking the ring through a room temperature catalytic Wittig reaction.
O'Brien CJ, et al.
Chemistry?A European Journal , 19(19), 5854-5858 (2013)
Synthesis and characterization of zinc benzoate complexes through combined solid and solution phase reactions.
Karmakar A and Baruah JB
Polyhedron, 27(17), 3409-3416 (2008)
Zhifen Lin et al.
Chemical research in toxicology, 16(10), 1365-1371 (2003-10-21)
Quantitative structure-activity relationship (QSAR) approaches are proposed in this study to predict the joint effects of mixture toxicity. The initial investigation studies the joint effects between cyanogenic toxicants and aldehydes to Photobacterium phosphoreum. Joint effects are found to result from
Li Lin et al.
Chemosphere, 78(1), 66-71 (2009-10-23)
This paper describes the microwave (MW) treatment of soil contaminated by chloramphenicol (CAP), using granular activated carbon (GAC) as MW absorbent. It was found that the addition of GAC effectively increased the temperature of soil. Large MW power and GAC
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