2,2′-Dichlorobenzil - ≥97% , CAS No.21854-95-5

CAS: 21854-95-5 Cat. No.: D168658 Molecular Weight: 279.12 EC Number: 627-448-5
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
4'-Methoxybenzylideneamonicinnamic acid ethyl ester | 2,2'-Dichlorobenzil | 1,2-bis(2-chlorophenyl)ethane-1,2-dione | 6-amino-4-phenyl-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile | Enamine_005066 | Benzil-based compound, 10 | AS-76455 | AKOS015913690
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
D168658-1g
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$11.90

$17.90
Save $6.00 (33.52%)
5g
D168658-5g
5

$53.90

$80.90
Save $27.00 (33.37%)
25g
D168658-25g
1

$234.90

$352.90
Save $118.00 (33.44%)
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Why this grade

≥97% 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

Synonyms
4'-Methoxybenzylideneamonicinnamic acid ethyl ester | 2, 2'-Dichlorobenzil | 1, 2-bis(2-chlorophenyl)ethane-1, 2-dione | 6-amino-4-phenyl-2-thioxo-1, 2-dihydropyridine-3, 5-dicarbonitrile | Enamine_005066 | Benzil-based compound, 10 | AS-76455 | AKOS015913690
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid488186541
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488186541
Canonical SmilesC1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
IUPAC Name1,2-bis(2-chlorophenyl)ethane-1,2-dione
InChIKeyVOSNNSVWVJFJCR-UHFFFAOYSA-N
INCHI1S/C14H8Cl2O2/c15-11-7-3-1-5-9(11)13(17)14(18)10-6-2-4-8-12(10)16/h1-8H
Isomeric SMILES C1=CC=C(C(=C1)C(=O)C(=O)C2=CC=CC=C2Cl)Cl
WGK Germany 3
Molecular Weight 279.12
Reaxy-Rn 2120689
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2120689&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.

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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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Benzoyl derivatives  Aryl ketones  Chlorobenzenes  Aryl chlorides  Alpha-diketones  Vinylogous halides  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Stilbene - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Alpha-diketone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Ketone - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CES2 Tchem Cocaine esterase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Tclin Butyrylcholinesterase (7174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES2 Tchem Carboxylesterase 2 (583 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CES1 Tchem Acyl coenzyme A:cholesterol acyltransferase (1029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
K2230117Certificate of AnalysisJun 09, 2026 D168658
B2603600Certificate of AnalysisFeb 06, 2026 D168658
K2307057Certificate of AnalysisAug 12, 2025 D168658
F1917198Certificate of AnalysisFeb 03, 2023 D168658
Chemical and Physical Properties
Melt Point(°C)132-136℃
Molecular Weight279.100 g/mol
XLogP34.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass277.99 Da
Monoisotopic Mass277.99 Da
Topological Polar Surface Area34.100 Ų
Heavy Atom Count18
Formal Charge0
Complexity298.000
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
Reviews

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