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· · COA & SDS available for every product · Same-day shipping on in-stock items 2,3,4,5-Tetrachloronitrobenzene - ≥98% , CAS No.879-39-0
Synonyms
CCRIS 5938 | NCGC00090838-03 | NCIOpen2_002406 | HSDB 4286 | FT-0633066 | SCHEMBL3650611 | 2,4,5-Tetrachloro-1-nitrobenzene | NCGC00258447-01 | UNII-N2WU0K04EH | InChI=1/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H | AKOS015850053 | Benzene, 5-nitro-1,2
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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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
CCRIS 5938 | NCGC00090838-03 | NCIOpen2_002406 | HSDB 4286 | FT-0633066 | SCHEMBL3650611 | 2, 4, 5-Tetrachloro-1-nitrobenzene | NCGC00258447-01 | UNII-N2WU0K04EH | InChI=1/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H | AKOS015850053 | Benzene, 5-nitro-1, 2
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488181851 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488181851 Canonical Smiles C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] IUPAC Name 1,2,3,4-tetrachloro-5-nitrobenzene InChIKey MTBYTWZDRVOMBR-UHFFFAOYSA-N INCHI 1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H Isomeric SMILES C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-] RTECS DB9625000 PubChem CID 13428 UN Number 2811 Packing Group I Molecular Weight 260.88 Beilstein 5247 Reaxy-Rn 2273256
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 Nitrobenzenes Intermediate Tree Nodes Not available Direct Parent Nitrobenzenes Alternative Parents Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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 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) 65 °C Molecular Weight 260.899 g/mol XLogP3 4.900 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 0 Exact Mass 260.873 Da Monoisotopic Mass 258.876 Da Topological Polar Surface Area 45.800 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 209.000 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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