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dimethoxydibenzylideneacetone)palladium(0) - 96%, high purity , CAS No.811862-77-8

COA

Grade & Purity:

≥96%

Cas Number: 811862-77-8
Molecular Weight: 815.21
MDL number: MFCD07369799
PubChem CID: 16218023
PubChem SID: 504768307

In stock

Item Number

D119876

Grouped product items
SKU	Size	Availability	Price
D119876-1g	1g	3	$64.90
D119876-5g	5g	1	$244.90
D119876-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,098.90

Basic Description

Synonyms	Bis(3,5,3',5'-dimethoxydibenzylideneacetone)palladium(0) \| 811862-77-8 \| (1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one;palladium \| Bis(3,5,3 inverted exclamation marka,5 inverted exclamation marka-dimethoxydibenzylideneacetone)palladium(0) \| bis(3,5,3'
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Styrenes Phenoxy compounds Anisoles Alkyl aryl ethers Enones Acryloyl compounds Ketones Organic transition metal salts Organic oxides Hydrocarbon derivatives
Molecular Framework	Not available
Substituents	Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenol ether - Styrene - Phenoxy compound - Alkyl aryl ether - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Organic transition metal salt - Ether - Organic salt - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504768307
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768307
IUPAC Name	(1E,4E)-1,5-bis(3,5-dimethoxyphenyl)penta-1,4-dien-3-one;palladium
INCHI	InChI=1S/2C21H22O5.Pd/c21-23-18-9-15(10-19(13-18)24-2)5-7-17(22)8-6-16-11-20(25-3)14-21(12-16)26-4;/h25-14H,1-4H3;/b2*7-5+,8-6+;
InChIKey	RTGAJOPJZJDWAX-XVGSOSPHSA-N
Smiles	COC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OC)OC)OC.COC1=CC(=CC(=C1)C=CC(=O)C=CC2=CC(=CC(=C2)OC)OC)OC.[Pd]
Isomeric SMILES	COC1=CC(=CC(=C1)/C=C/C(=O)/C=C/C2=CC(=CC(=C2)OC)OC)OC.COC1=CC(=CC(=C1)/C=C/C(=O)/C=C/C2=CC(=CC(=C2)OC)OC)OC.[Pd]
WGK Germany	3
Molecular Weight	815.21
Reaxy-Rn	15487397
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15487397&ln=

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 Number	Certificate Type	Date	Item
I1312070	Certificate of Analysis	Apr 02, 2025	D119876
K1816113	Certificate of Analysis	Sep 16, 2022	D119876
K1816112	Certificate of Analysis	Sep 16, 2022	D119876
I1403087	Certificate of Analysis	Jun 23, 2022	D119876

Chemical and Physical Properties

Melt Point(°C)	170-178°C
Molecular Weight	815.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	16
Exact Mass	814.197 Da
Monoisotopic Mass	814.197 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	53
Formal Charge	0
Complexity	421.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	4
Covalently-Bonded Unit Count	3

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