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Dimethyl 1,8-Anthracenedicarboxylate - >95.0%(GC), high purity , CAS No.93655-34-6

COA

Grade & Purity:

≥95%(GC)

Cas Number: 93655-34-6
Molecular Weight: 294.31
MDL number: MFCD01321126
PubChem CID: 5260121
PubChem SID: 488195187

In stock

Item Number

D155101

Grouped product items
SKU	Size	Availability	Price
D155101-250mg	250mg	10	$84.90
D155101-1g	1g	5	$260.90
D155101-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$873.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	SCHEMBL6761980 \| DimethylAnthracene-1,8-dicarboxylate \| MFCD01321126 \| 1,8-Anthracenedicarboxylic Acid Dimethyl Ester \| T71477 \| DTXSID80413937 \| 1,8-ANTHRACENEDICARBOXYLICACIDDIMETHYLESTER \| AKOS015840808 \| Dimethyl Anthracene-1,8-dicarboxylate \| Dimethy
Specifications & Purity	≥95%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Anthracenes
    - Subclass Anthracenecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Anthracenes
Subclass	Anthracenecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Anthracenecarboxylic acids
Alternative Parents	Naphthalenecarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Anthracene carboxylic acid - 1-naphthalenecarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as anthracenecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an anthracene ring system.
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	488195187
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195187
IUPAC Name	dimethyl anthracene-1,8-dicarboxylate
INCHI	InChI=1S/C18H14O4/c1-21-17(19)13-7-3-5-11-9-12-6-4-8-14(18(20)22-2)16(12)10-15(11)13/h3-10H,1-2H3
InChIKey	ALYSIEHCBBJETD-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=CC2=CC3=C(C=C21)C(=CC=C3)C(=O)OC
Isomeric SMILES	COC(=O)C1=CC=CC2=CC3=C(C=C21)C(=CC=C3)C(=O)OC
Molecular Weight	294.31
Reaxy-Rn	2595310
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2595310&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2003029	Certificate of Analysis	Mar 07, 2024	D155101
F2328244	Certificate of Analysis	Jul 10, 2023	D155101
L2215924	Certificate of Analysis	Dec 30, 2022	D155101

Chemical and Physical Properties

Melt Point(°C)	105 °C
Molecular Weight	294.300 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	294.089 Da
Monoisotopic Mass	294.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	395.000
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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