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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-{[2-Chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid , CAS No.693795-82-3
Synonyms
3-{[2-chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid | SMR000073537 | MLS000099276 | 3-[[2-chloro-4-(hydroxymethyl)phenoxy]methyl]benzoic acid | 3-((2-Chloro-4-(hydroxymethyl)phenoxy)methyl)benzoic acid | CBKinase1_003472 | CBKinase1_015872 | cid_893
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Why this grade 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.
Specifications Synonyms
3-{[2-chloro-4-(hydroxymethyl)phenoxy]methyl}benzoic acid | SMR000073537 | MLS000099276 | 3-[[2-chloro-4-(hydroxymethyl)phenoxy]methyl]benzoic acid | 3-((2-Chloro-4-(hydroxymethyl)phenoxy)methyl)benzoic acid | CBKinase1_003472 | CBKinase1_015872 | cid_893
Product Properties Names and Identifiers Canonical Smiles C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)CO)Cl IUPAC Name 3-[[2-chloro-4-(hydroxymethyl)phenoxy]methyl]benzoic acid InChIKey CJSMGQLUSXOBBD-UHFFFAOYSA-N INCHI 1S/C15H13ClO4/c16-13-7-10(8-17)4-5-14(13)20-9-11-2-1-3-12(6-11)15(18)19/h1-7,17H,8-9H2,(H,18,19) Isomeric SMILES C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)CO)Cl Molecular Weight 292.71 Reaxy-Rn 18576384 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18576384&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 Benzene and substituted derivatives Subclass Benzoic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Benzoic acids Alternative Parents Phenoxy compounds Phenol ethers Benzyl alcohols Benzoyl derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoic acid - Phenoxy compound - Benzoyl - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organochloride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Primary alcohol - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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 Molecular Weight 292.710 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 292.05 Da Monoisotopic Mass 292.05 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 323.000 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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