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· · COA & SDS available for every product · Same-day shipping on in-stock items 4-(Chloromethyl)phenyl acetate - ≥98% , CAS No.39720-27-9
Synonyms
DTXSID30192806 | p-(Chloromethyl)phenyl acetate | EN300-104049 | 4-(Chloromethyl)phenyl acetate, 98% | 4-(chloromethyl)phenol acetate | acetic acid 4-chloromethyl-phenyl ester | OKRCXSCDWKJWSW-UHFFFAOYSA-N | Phenol, 4-(chloromethyl)-, acetate | FT-0723733
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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 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.
Overview Description
4-(Chloromethyl)phenyl acetate may be used as reagent in 4-(chloromethyl)phenyl acetate assay.
Specifications Synonyms
DTXSID30192806 | p-(Chloromethyl)phenyl acetate | EN300-104049 | 4-(Chloromethyl)phenyl acetate, 98% | 4-(chloromethyl)phenol acetate | acetic acid 4-chloromethyl-phenyl ester | OKRCXSCDWKJWSW-UHFFFAOYSA-N | Phenol, 4-(chloromethyl)-, acetate | FT-0723733
Specifications & Purity
≥98%
Names and Identifiers Canonical Smiles CC(=O)OC1=CC=C(C=C1)CCl IUPAC Name [4-(chloromethyl)phenyl] acetate InChIKey OKRCXSCDWKJWSW-UHFFFAOYSA-N INCHI 1S/C9H9ClO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,6H2,1H3 Isomeric SMILES CC(=O)OC1=CC=C(C=C1)CCl WGK Germany 3 RTECS SK4956000 Molecular Weight 184.62 Reaxy-Rn 2440833 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2440833&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 Class Phenol esters Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenol esters Alternative Parents Phenoxy compounds Benzyl chlorides Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Molecular Framework Aromatic homomonocyclic compounds Substituents Phenol ester - Phenoxy compound - Benzyl halide - Benzyl chloride - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alkyl chloride - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index 1.53 (lit.) Flash Point(°F) 235.4 °F Flash Point(°C) 113 °C Boil Point(°C) 240 °C (lit.) Molecular Weight 184.620 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 3 Exact Mass 184.029 Da Monoisotopic Mass 184.029 Da Topological Polar Surface Area 26.300 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 151.000 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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