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· · COA & SDS available for every product · Same-day shipping on in-stock items Benzophenone-2,4'-dicarboxylic Acid Monohydrate - ≥98%(T) , CAS No.85-58-5
Synonyms
AS-61827 | o,p'-Carbonyldibenzoic acid | Benzophenone-2,4'-dicarboxylic acid | B0084 | NSC5003 | NSC-5003 | Benzoic acid,4'-carbonyldi- | 2,4'-Dicarboxy benzophenone | 2,4'-Carbonyldibenzoic acid | AKOS024332806 | SCHEMBL1614614 | RWHRIIMYBNGFEV-UHFFFAOYS
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Why this grade ≥98%(T) 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
AS-61827 | o, p'-Carbonyldibenzoic acid | Benzophenone-2, 4'-dicarboxylic acid | B0084 | NSC5003 | NSC-5003 | Benzoic acid, 4'-carbonyldi- | 2, 4'-Dicarboxy benzophenone | 2, 4'-Carbonyldibenzoic acid | AKOS024332806 | SCHEMBL1614614 | RWHRIIMYBNGFEV-UHFFFAOYS
Specifications & Purity
≥98%(T)
Names and Identifiers Pubchem Sid 488188679 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488188679 Canonical Smiles C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O IUPAC Name 2-(4-carboxybenzoyl)benzoic acid InChIKey RWHRIIMYBNGFEV-UHFFFAOYSA-N INCHI 1S/C15H10O5/c16-13(9-5-7-10(8-6-9)14(17)18)11-3-1-2-4-12(11)15(19)20/h1-8H,(H,17,18)(H,19,20) Isomeric SMILES C1=CC=C(C(=C1)C(=O)C2=CC=C(C=C2)C(=O)O)C(=O)O Molecular Weight 270.24 Reaxy-Rn 2740669 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2740669&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 Benzophenones Intermediate Tree Nodes Not available Direct Parent Benzophenones Alternative Parents Diphenylmethanes Aryl-phenylketones Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzophenone - Aryl-phenylketone - Diphenylmethane - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Aryl ketone - Dicarboxylic acid or derivatives - Ketone - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. External Descriptors Not available 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 270.240 g/mol XLogP3 2.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 4 Exact Mass 270.053 Da Monoisotopic Mass 270.053 Da Topological Polar Surface Area 91.700 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 395.000 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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