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· · COA & SDS available for every product · Same-day shipping on in-stock items 3',4'-Dimethylbenzophenone-2-carboxylic Acid - ≥98% , CAS No.2159-42-4
Synonyms
Benzoic acid,2-(3,4-dimethylbenzoyl)- | 2-(3,4-Dimethylbenzoyl)benzoic Acid | MFCD00121437 | Ethanol,2'-(dodecylimino)bis- | 2-(3,4-Dimethylbenzoyl)benzoicAcid | EN300-100777 | Maybridge1_003024 | D90144 | D2978 | NSC201577 | NSC-201577 | Oprea1_662687 |
Storage
Argon charged,Room temperature
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Argon charged,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
Benzoic acid, 2-(3, 4-dimethylbenzoyl)- | 2-(3, 4-Dimethylbenzoyl)benzoic Acid | MFCD00121437 | Ethanol, 2'-(dodecylimino)bis- | 2-(3, 4-Dimethylbenzoyl)benzoicAcid | EN300-100777 | Maybridge1_003024 | D90144 | D2978 | NSC201577 | NSC-201577 | Oprea1_662687 |
Specifications & Purity
≥98%
Storage
Argon charged, Room temperature
Names and Identifiers Pubchem Sid 504758410 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758410 Canonical Smiles CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C IUPAC Name 2-(3,4-dimethylbenzoyl)benzoic acid InChIKey AYVFSZDAFPVJOA-UHFFFAOYSA-N INCHI 1S/C16H14O3/c1-10-7-8-12(9-11(10)2)15(17)13-5-3-4-6-14(13)16(18)19/h3-9H,1-2H3,(H,18,19) Isomeric SMILES CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)C Molecular Weight 254.29 Reaxy-Rn 2695854 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2695854&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 o-Xylenes Benzoyl derivatives Monocarboxylic 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 - O-xylene - Benzoyl - Xylene - Aryl ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in Methanol Sensitivity air sensitive Melt Point(°C) 168 °C Molecular Weight 254.280 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 254.094 Da Monoisotopic Mass 254.094 Da Topological Polar Surface Area 54.400 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 350.000 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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