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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one - ≥95% , CAS No.95111-49-2
Synonyms
SY103665 | T73096 | 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one | MFCD00067043 | BS-22783 | T1431 | 2,3,5,6-Tetrabromo-4-methyl-4-nitro-2,5-cyclohexadien-1-one | 4-Nitro-4-methyl-2,3,5,6-tetrabromo-2,5-cyclohexadien-1-one | AKOS015969613 |
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged Ships Ice chest + Ice pads 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
SY103665 | T73096 | 2, 3, 5, 6-tetrabromo-4-methyl-4-nitrocyclohexa-2, 5-dien-1-one | MFCD00067043 | BS-22783 | T1431 | 2, 3, 5, 6-Tetrabromo-4-methyl-4-nitro-2, 5-cyclohexadien-1-one | 4-Nitro-4-methyl-2, 3, 5, 6-tetrabromo-2, 5-cyclohexadien-1-one | AKOS015969613 |
Specifications & Purity
≥95%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504760898 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504760898 Canonical Smiles CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-] IUPAC Name 2,3,5,6-tetrabromo-4-methyl-4-nitrocyclohexa-2,5-dien-1-one InChIKey KKWDBDVGMIDKLP-UHFFFAOYSA-N INCHI 1S/C7H3Br4NO3/c1-7(12(14)15)5(10)2(8)4(13)3(9)6(7)11/h1H3 Isomeric SMILES CC1(C(=C(C(=O)C(=C1Br)Br)Br)Br)[N+](=O)[O-] PubChem CID 2724547 Molecular Weight 468.72 Reaxy-Rn 3532956
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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones Direct Parent Alpha-haloketones Alternative Parents Vinylogous halides Cyclic ketones C-nitro compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Bromoalkenes Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aliphatic homomonocyclic compounds Substituents Alpha-haloketone - Vinylogous halide - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic oxoazanium - Vinyl bromide - Vinyl halide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Haloalkene - Bromoalkene - Organopnictogen compound - Organobromide - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Aliphatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group. 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Sensitivity Hygroscopic,Heat Sensitive Molecular Weight 468.720 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 0 Exact Mass 468.681 Da Monoisotopic Mass 464.685 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 15 Formal Charge 0 Complexity 392.000 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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