Name: 4-Nitrobenzoic acid - for synthesis , CAS No.62-23-7
Brand: Aladdin Scientific
SKU: N433134
Availability: InStock

4-Nitrobenzoic acid - for synthesis , CAS No.62-23-7

CAS: 62-23-7 Cat. No.: N433134 Formule: C₇H₅NO₄ Poids moléculaire: 167.12 Beilstein Registry Number: 973593 Numéro CE: 200-526-2

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4-Nitrobenzoic acid - for synthesis CAS No(62-23-7) by Aladdin Scientific

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Spécifications Noms et identifiants Documentation Données avancées Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques FAQ et articles Citations of This Product Calculateurs de solution Avis

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for synthesis for Synthesis pour les flux de travail chromatographiques et analytiques sensibles nécessitant une interférence de ligne de base minimale.

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SDS, COA, fiche technique et fiche de spécifications disponibles au téléchargement. COA spécifique au lot accessible via la recherche par numéro de lot.

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Preuve documentaire

Cité dans 55 publications à comité de lecture couvrant la chromatographie, la synthèse organique et les réactions de couplage croisé.

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Synonymes

Spécifications et pureté

for synthesis

Conditions de stockage de stockage

Room temperature

Expédié en

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Grade

for Synthesis

Noms et identifiants

Pubchem Sid

504751000

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751000

Sourires canoniques

C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

IUPAC Name

4-nitrobenzoic acid

InChIKey

OTLNPYWUJOZPPA-UHFFFAOYSA-N

INCHI

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

Isomères SMILES

C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

WGK Allemagne

RTECS

DH5075000

Poids moléculaire

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

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Document complet couvrant les dangers, la manipulation, le stockage et la conformité réglementaire.

<<<<<<< HEAD Télécharger la SDS → ======= Télécharger la SDS → >>>>>>> release248-p3

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Données avancées

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Nitrobenzoic 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 Framework	Aromatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Structure 3D

Cibles associées (humaines)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TPMT Tchem Thiopurine S-methyltransferase (45 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

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GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Cibles associées (non humaines)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

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Mécanismes d'action

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3 results found

Lot Number	Certificate Type	Date	Article
E23231263	Certificate of Analysis	Mar 11, 2026	N433134
E23231269	Certificate of Analysis	Mar 11, 2026	N433134
E23231309	Certificate of Analysis	Mar 11, 2026	N433134

Propriétés chimiques et physiques

Point d'éclair (°F)	458.6℉
Point d'éclair (°C)	237℃
Point de fusion (°C)	242.4°C
Poids moléculaire	167.120 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	167.022 Da
Monoisotopic Mass	167.022 Da
Topological Polar Surface Area	83.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	190.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

FAQ et articles

“For Synthesis” grade — a clear and practical guide

Categories: Reagent Specifications, Grading and Purity

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Grade For Synthesis grade

Revisiting Titanium Tetrachloride: New Advances in the Direct Amidation and Esterification of Carboxylic Acids

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

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Understanding ATD-DMAP: From Reagent Design to Esterification, Amidation, and Stereochemical Integrity

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ATD-DMAP

Triphenylphosphine-Involved Carboxylic Acid Activation and Amide Bond Formation: Activation Pathways, Anhydride Competition, and Applicability Scenarios

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

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Amide bond formation carboxylic acid activation

From Nitroarenes to Pharmaceutically Relevant Pyridines: A Photochemically Induced Aryl Nitrene-Mediated Skeletal Editing Strategy

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

Tags:

Pyridine Nitroaromatic hydrocarbons

Rotary-Evaporation-Assisted Reversible Dehydration Reactions: Reduced-Pressure Evaporation, Removal of Volatile Components, and Equilibrium Response

Categories: Technical Articles: Reagent Chemistry, Synthesis & Bioscience Guides

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Rotary Evaporation

Citations of This Product

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📚 Citations par application

Organic synthesis — reaction medium39

Extraction & workup solvent17

Other applications25

Crystallization & recrystallization2

Cross-coupling reactions7

Electrochemistry & battery electrolyte4

Controlled-release & nanoparticle carrier3

Drug / compound screening6

Cell proliferation1

Cytotoxicity screening1

Polymer synthesis & polymerization4

Cancer cell line characterization1

Chromatography (HPLC / GC / TLC)2

Spectroscopy sample preparation1

Voir les 55 citations →

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4-Nitrobenzoic acid - for synthesis , CAS No.62-23-7

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