4-Nitrobenzoic acid - CP, ≥98% , CAS No.62-23-7

CAS: 62-23-7 Cat. No.: N104356 Molecular Weight: 167.12 Beilstein Registry Number: 973593 EC Number: 200-526-2
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GRADE & PURITY CP ? Chemically Pure grade — moderate purity above technical grade but below analytical. Use for general lab reactions where ultra-low impurities aren't critical. ≥98%
Synonyms
PARA NITROBENZOIC ACID | 4-Nitro benzoic acid | DTXSID3020966 | W-105029 | A8599 | BDBM50405310 | Kyselina p-nitrobenzoova | p-nitro-benzoicacid | 4-Nitrobenzoic acid, purum, >=98.0% (HPLC) | AKOS024268501 | WLN: WNR DVQ | 4-Nitrodracylic acid | STL168880
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
500g
N104356-500g
1

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Why this grade

CP, ≥98% CP for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 54 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
PARA NITROBENZOIC ACID | 4-Nitro benzoic acid | DTXSID3020966 | W-105029 | A8599 | BDBM50405310 | Kyselina p-nitrobenzoova | p-nitro-benzoicacid | 4-Nitrobenzoic acid, purum, >=98.0% (HPLC) | AKOS024268501 | WLN: WNR DVQ | 4-Nitrodracylic acid | STL168880
Specifications & Purity
CP, ≥98%
Storage
Room temperature
Shipped In
Normal
Grade
CP
Purity
≥98%
Names and Identifiers
Canonical SmilesC1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
IUPAC Name4-nitrobenzoic acid
InChIKeyOTLNPYWUJOZPPA-UHFFFAOYSA-N
INCHI1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
Isomeric SMILES C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]
WGK Germany 1
RTECS DH5075000
Molecular Weight 167.12
Beilstein 973593
Reaxy-Rn 973593
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=973593&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentNitrobenzoic acids and derivatives
Alternative Parents Nitrobenzenes  Benzoic acids  Nitroaromatic compounds  Benzoyl derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Nitrobenzoate - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
External Descriptors nitrobenzoic acid
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TPMT Tchem Thiopurine S-methyltransferase (45 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeDateItem
F2206459Certificate of AnalysisMar 18, 2026 N104356
L2104210Certificate of AnalysisSep 09, 2025 N104356
F2121257Certificate of AnalysisApr 03, 2025 N104356
J2417273Certificate of AnalysisOct 28, 2024 N104356
J2414519Certificate of AnalysisOct 23, 2024 N104356
Chemical and Physical Properties
SensitivityMoisture sensitive.
Flash Point(°F)458.6℉
Flash Point(°C)237℃
Melt Point(°C)242.4°C
Molecular Weight167.120 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass167.022 Da
Monoisotopic Mass167.022 Da
Topological Polar Surface Area83.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity190.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
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54. Hongli Chao, Jing Wang, Yi Wang, Jing Tian, Yi Yang.  (2026)  Artificial antibody-antigen-mediated lipase immobilization via a simplified affinity recognition strategy for biocatalytic flavor ester synthesis through transesterification.  FOOD CHEMISTRY,      [PMID:41687370] [10.1016/j.foodchem.2026.148383]
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