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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Nitrobenzoic acid - for synthesis , CAS No.62-23-7
GRADE & PURITY for Synthesis ? Synthesis grade — practical purity for chemical synthesis and preparative work. Use as a cost-effective reagent when analytical purity isn't required. 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
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Why this grade for synthesis for Synthesis 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
for synthesis
Names and Identifiers Pubchem Sid 504751000 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504751000 Canonical Smiles 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) 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.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class 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 Data sources 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Flash Point(°F) 458.6℉ Flash Point(°C) 237℃ Melt Point(°C) 242.4°C Molecular Weight 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 Ų 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
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