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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Pyrenebutyric acid - ≥98% , CAS No.3443-45-6
Synonyms
1-Pyrenebutyrate | N-Acetyl-1-naphthylamine | A822234 | AS-30096 | LCZC297 | MLS001181994 | SMR000567713 | PD167333 | 6,7-Dimethoxyphthalide | .gamma.-(3-Pyrenyl)butyric acid | 1-Pyrenebutyric acid | CCG-55743 | Pyrene-1-butyric acid | W-202411 | NSC-1083
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Why this grade ≥98% 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 21 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1-Pyrenebutyrate | N-Acetyl-1-naphthylamine | A822234 | AS-30096 | LCZC297 | MLS001181994 | SMR000567713 | PD167333 | 6,7-Dimethoxyphthalide | .gamma.-(3-Pyrenyl)butyric acid | 1-Pyrenebutyric acid | CCG-55743 | Pyrene-1-butyric acid | W-202411 | NSC-1083
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504755126
Canonical Smiles
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O
IUPAC Name
4-pyren-1-ylbutanoic acid
InChIKey
QXYRRCOJHNZVDJ-UHFFFAOYSA-N
INCHI
1S/C20H16O2/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15/h1,4-5,7-12H,2-3,6H2,(H,21,22)
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2140554&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 Pyrenes Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrenes Alternative Parents Phenanthrenes and derivatives Naphthalenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homopolycyclic compounds Substituents Pyrene - Phenanthrene - Naphthalene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound Description This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 184-186°C Molecular Weight 288.300 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 Exact Mass 288.115 Da Monoisotopic Mass 288.115 Da Topological Polar Surface Area 37.300 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 418.000 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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