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· · COA & SDS available for every product · Same-day shipping on in-stock items 2'-Chloro-4'-nitroacetophenone - ≥98%(GC) , CAS No.67818-41-1
Synonyms
DTXSID90310766 | DS-18172 | FT-0690608 | 3-chloro-4-acetyl-nitrobenzene | HMS556F22 | Maybridge1_005236 | C3299 | 2'-Chloro-4'-nitroacetophenone | NSC231605 | NSC-231605 | AC-28685 | BRFBJVQQCATLSZ-UHFFFAOYSA-N | METHYL3,4-O-ISOPROPYLIDENE-L-THREONATE | E
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Why this grade ≥98%(GC) 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
DTXSID90310766 | DS-18172 | FT-0690608 | 3-chloro-4-acetyl-nitrobenzene | HMS556F22 | Maybridge1_005236 | C3299 | 2'-Chloro-4'-nitroacetophenone | NSC231605 | NSC-231605 | AC-28685 | BRFBJVQQCATLSZ-UHFFFAOYSA-N | METHYL3,4-O-ISOPROPYLIDENE-L-THREONATE | E
Specifications & Purity
≥98%(GC)
Names and Identifiers Pubchem Sid 504758439 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504758439 Canonical Smiles CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl IUPAC Name 1-(2-chloro-4-nitrophenyl)ethanone InChIKey BRFBJVQQCATLSZ-UHFFFAOYSA-N INCHI 1S/C8H6ClNO3/c1-5(11)7-3-2-6(10(12)13)4-8(7)9/h2-4H,1H3 Isomeric SMILES CC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl Molecular Weight 199.59 Reaxy-Rn 3118913 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3118913&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 Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Nitrobenzenes Acetophenones Nitroaromatic compounds Benzoyl derivatives Aryl alkyl ketones Chlorobenzenes Aryl chlorides Vinylogous halides 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 Alkyl-phenylketone - Acetophenone - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - C-nitro compound - Organic nitro compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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 Melt Point(°C) 44 °C Molecular Weight 199.590 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 1 Exact Mass 199.004 Da Monoisotopic Mass 199.004 Da Topological Polar Surface Area 62.900 Ų Heavy Atom Count 13 Formal Charge 0 Complexity 226.000 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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