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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Methyl 4-chloro-3-(cyanomethyl)benzoate - ≥98% , CAS No.872091-83-3
Synonyms
FT-0725707 | methyl4-chloro-3-(cyanomethyl)benzoate | 4-chloro-3-(cyanomethyl)benzoic acid methyl ester | CK2216 | SCHEMBL2192295 | MFCD09263465 | methyl 4-chloro-3-(cyanomethyl)benzoate | 4-chloro-3-cyanomethylbenzoic acid methyl ester | BBL011054 | DTXS
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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 Sinónimos
FT-0725707 | methyl4-chloro-3-(cyanomethyl)benzoate | 4-chloro-3-(cyanomethyl)benzoic acid methyl ester | CK2216 | SCHEMBL2192295 | MFCD09263465 | methyl 4-chloro-3-(cyanomethyl)benzoate | 4-chloro-3-cyanomethylbenzoic acid methyl ester | BBL011054 | DTXS
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas COC(=O)C1=CC(=C(C=C1)Cl)CC#N IUPAC Name methyl 4-chloro-3-(cyanomethyl)benzoate InChIKey BCVKNCFKAFOXOI-UHFFFAOYSA-N INCHI 1S/C10H8ClNO2/c1-14-10(13)8-2-3-9(11)7(6-8)4-5-12/h2-3,6H,4H2,1H3 Isómeros SMILES COC(=O)C1=CC(=C(C=C1)Cl)CC#N Peso molecular 209.63 Reaxy-Rn 12475028 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12475028&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 Benzenoids Clase Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acid esters Alternative Parents 4-halobenzoic acids and derivatives Benzyl cyanides Benzoyl derivatives Chlorobenzenes Aryl chlorides Methyl esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzyl-cyanide - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organohalogen compound - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 209.630 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 209.024 Da Monoisotopic Mass 209.024 Da Topological Polar Surface Area 50.100 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 258.000 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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