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· · COA & SDS available for every product · Same-day shipping on in-stock items Affinty - analytical standard , CAS No.128621-72-7
GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Synonyms
Carfentrazone|128621-72-7|Carfentrazone [ISO]|UNII-WAH5515N4U|WAH5515N4U|Carfentrazone (free acid)|2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid|C11493|Benzenepropanoic acid, alpha,2-dichloro-5
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Why this grade analytical standard Analytical standard 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
Carfentrazone | 128621-72-7 | Carfentrazone [ISO] | UNII-WAH5515N4U | WAH5515N4U | Carfentrazone (free acid) | 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1, 2, 4-triazol-1-yl]-4-fluorophenyl]propanoic acid | C11493 | Benzenepropanoic acid, alpha, 2-dichloro-5
Specifications & Purity
analytical standard
Names and Identifiers Canonical Smiles CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F IUPAC Name 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoic acid InChIKey YHKBGVDUSSWOAB-UHFFFAOYSA-N INCHI 1S/C13H10Cl2F3N3O3/c1-5-19-21(13(24)20(5)12(17)18)10-3-6(2-8(15)11(22)23)7(14)4-9(10)16/h3-4,8,12H,2H2,1H3,(H,22,23) Isomeric SMILES CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)CC(C(=O)O)Cl)Cl)F Reaxy-Rn 9078578 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9078578&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 Organoheterocyclic compounds Class Azoles Subclass Triazoles Intermediate Tree Nodes Phenyltriazoles Direct Parent Phenyl-1,2,4-triazoles Alternative Parents Phenylpropanoic acids Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Alkyl fluorides Alkyl chlorides Organochlorides Organofluorides Molecular Framework Aromatic heteromonocyclic compounds Substituents 3-phenylpropanoic-acid - Phenyl-1,2,4-triazole - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organofluoride - Alkyl halide - Alkyl fluoride - Alkyl chloride - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group. External Descriptors monocarboxylic acid 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 Boil Point(°C) 350～335°C Melt Point(°C) -22.1°C Molecular Weight 384.130 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 383.005 Da Monoisotopic Mass 383.005 Da Topological Polar Surface Area 73.200 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 552.000 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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