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Ethyl 5-chloro-2-methoxy-alpha-oxobenzeneacetate , CAS No.951887-98-2

CAS: 951887-98-2 Cat. No.: E1243612 Molecular Weight: 242.66 PubChem CID: 24722245
COA
Ethyl 5-chloro-2-methoxy-alpha-oxobenzeneacetate , CAS No.951887-98-2
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250mg
E1243612-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$275.90
500mg
E1243612-500mg
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$369.90
1g
E1243612-1g
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5g
E1243612-5g
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$1,615.90
10g
E1243612-10g
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$2,705.90
25g
E1243612-25g
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$5,258.90
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SDS
Safety data
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DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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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 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

Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesCCOC(=O)C(=O)C1=C(C=CC(=C1)Cl)OC
IUPAC Nameethyl 2-(5-chloro-2-methoxyphenyl)-2-oxoacetate
InChIKeyTYJGCFNKZHJLMB-UHFFFAOYSA-N
INCHI1S/C11H11ClO4/c1-3-16-11(14)10(13)8-6-7(12)4-5-9(8)15-2/h4-6H,3H2,1-2H3
Isomeric SMILES CCOC(=O)C(=O)C1=C(C=CC(=C1)Cl)OC
PubChem CID 24722245
Molecular Weight 242.66

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoyl derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoyl derivatives
Alternative Parents Phenoxy compounds  Methoxybenzenes  Aryl ketones  Anisoles  Chlorobenzenes  Alkyl aryl ethers  Aryl chlorides  Alpha-keto acids and derivatives  Carboxylic acid esters  Monocarboxylic acids and derivatives  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Anisole - Benzoyl - Phenol ether - Aryl ketone - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Alpha-keto acid - Keto acid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carbonyl group - Organohalogen compound - Organochloride - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight242.650 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass242.035 Da
Monoisotopic Mass242.035 Da
Topological Polar Surface Area52.600 Ų
Heavy Atom Count16
Formal Charge0
Complexity267.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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