(E)-3-chloro-2,3-bis(4-methoxyphenyl)acrylaldehyde - ≥95% , CAS No.181308-92-9

CAS: 181308-92-9 Cat. No.: C691415 Molecular Weight: 302.7 PubChem CID: 735821
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GRADE & PURITY ≥95%
Storage
Room temperature
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1mg
C691415-1mg
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Why this grade

≥95% 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

Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Names and Identifiers
Canonical SmilesCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C=O
IUPAC Name(E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-enal
InChIKeyVNRALGZMXHFBPG-MSUUIHNZSA-N
INCHI1S/C17H15ClO3/c1-20-14-7-3-12(4-8-14)16(11-19)17(18)13-5-9-15(21-2)10-6-13/h3-11H,1-2H3/b17-16-
Isomeric SMILES COC1=CC=C(C=C1)/C(=C(/C2=CC=C(C=C2)OC)\Cl)/C=O
PubChem CID 735821
Molecular Weight 302.7

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
SuperclassPhenylpropanoids and polyketides
ClassStilbenes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentStilbenes
Alternative Parents Cinnamaldehydes  Phenylacetaldehydes  Phenoxy compounds  Methoxybenzenes  Anisoles  Alkyl aryl ethers  Vinylogous halides  Vinyl chlorides  Chloroalkenes  Organochlorides  Organic oxides  Hydrocarbon derivatives  Aldehydes  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Stilbene - Cinnamaldehyde - Phenylacetaldehyde - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Vinyl chloride - Ether - Haloalkene - Chloroalkene - Vinyl halide - Organic oxygen compound - Aldehyde - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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





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Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight302.700 g/mol
XLogP33.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass302.071 Da
Monoisotopic Mass302.071 Da
Topological Polar Surface Area35.500 Ų
Heavy Atom Count21
Formal Charge0
Complexity364.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
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