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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-Bromo-3-methyl-1H-pyrazol-5(4H)-one - ≥95% , CAS No.51395-52-9 🧪
Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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 Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CC1=NNC(=O)C1Br IUPAC Name 4-bromo-3-methyl-1,4-dihydropyrazol-5-one InChIKey PFZZZDVWAXUXGE-UHFFFAOYSA-N INCHI 1S/C4H5BrN2O/c1-2-3(5)4(8)7-6-2/h3H,1H3,(H,7,8) Isomeric SMILES CC1=NNC(=O)C1Br PubChem CID 269249 Molecular Weight 177
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 Organoheterocyclic compounds Class Azolines Subclass Pyrazolines Intermediate Tree Nodes Not available Direct Parent Pyrazolones Alternative Parents Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Molecular Framework Aliphatic heteromonocyclic compounds Substituents Pyrazolinone - Carboxylic acid derivative - Azacycle - Alkyl bromide - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Aliphatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrazolones. These are compounds containing a pyrazole ring which bears a ketone. 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 Molecular Weight 177.000 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 175.959 Da Monoisotopic Mass 175.959 Da Topological Polar Surface Area 41.500 Ų Heavy Atom Count 8 Formal Charge 0 Complexity 154.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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