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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Benzoic Acid 2-Chloroethyl Ester - ≥98% , CAS No.939-55-9
Synonyms
UNII-JD23EKE6Q9 | AI3-19588 | JD23EKE6Q9 | SCHEMBL1594034 | ANPPGQUFDXLAGY-UHFFFAOYSA- | .BETA.-CHLOROETHYL BENZOATE | Ethanol, 2-chloro-, benzoate | AKOS005198580 | NSC 44612 | A844743 | FT-0633160 | B0068 | DTXSID30239866 | InChI=1/C9H9ClO2/c10-6-7-12-9
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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
UNII-JD23EKE6Q9 | AI3-19588 | JD23EKE6Q9 | SCHEMBL1594034 | ANPPGQUFDXLAGY-UHFFFAOYSA- | .BETA.-CHLOROETHYL BENZOATE | Ethanol, 2-chloro-, benzoate | AKOS005198580 | NSC 44612 | A844743 | FT-0633160 | B0068 | DTXSID30239866 | InChI=1/C9H9ClO2/c10-6-7-12-9
Especificaciones y pureza
≥98%
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Pubchem Sid 488186953 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488186953 Sonrisas canónicas C1=CC=C(C=C1)C(=O)OCCCl IUPAC Name 2-chloroethyl benzoate InChIKey ANPPGQUFDXLAGY-UHFFFAOYSA-N INCHI 1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 Isómeros SMILES C1=CC=C(C=C1)C(=O)OCCCl Peso molecular 184.62 Beilstein 9(3)388 Reaxy-Rn 2045884 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045884&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 Benzoyl derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides Molecular Framework Aromatic homomonocyclic compounds Substituents Benzoate ester - Benzoyl - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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 Sensibilidad Hygroscopic Índice de refracción 1.5285 Punto de ebullición (°C) 257 °C Punto de fusión (°C) 257°C Peso molecular 184.620 g/mol XLogP3 2.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 4 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 141.000 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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