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Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylate - ≥95%, high purity , CAS No.855254-76-1

COA

Grade & Purity:

≥95%

Cas Number: 855254-76-1
Molecular Weight: 326.39
MDL number: MFCD21333033
PubChem CID: 66591620
PubChem SID: 504771845

In stock

Item Number

D304776

Grouped product items
SKU	Size	Availability	Price
D304776-100mg	100mg	3	$44.90
D304776-250mg	250mg	3	$74.90
D304776-1g	1g	3	$197.90

Basic Description

Synonyms	Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylate \| 855254-76-1 \| ethyl 4-(4-ethoxycarbonyl-2-methylphenyl)-3-methylbenzoate \| C20H22O4 \| SCHEMBL70169 \| DTXSID10735391 \| MFCD21333033 \| AKOS026673835 \| DS-9900 \| CS-0161559 \| C76755 \| Diethyl2,2'-dimethylbiphenyl-4,4'-dicarboxyla
Specifications & Purity	≥95%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Biphenyls and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Biphenyls and derivatives
Alternative Parents	Benzoic acid esters Benzoyl derivatives Toluenes Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Toluene - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
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	504771845
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771845
IUPAC Name	ethyl 4-(4-ethoxycarbonyl-2-methylphenyl)-3-methylbenzoate
INCHI	InChI=1S/C20H22O4/c1-5-23-19(21)15-7-9-17(13(3)11-15)18-10-8-16(12-14(18)4)20(22)24-6-2/h7-12H,5-6H2,1-4H3
InChIKey	NQAJKEFVVKYKNC-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OCC)C)C
Isomeric SMILES	CCOC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)OCC)C)C
Molecular Weight	326.39
Reaxy-Rn	3417609
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3417609&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.

3 results found

Lot Number	Certificate Type	Date	Item
F2230268	Certificate of Analysis	Jul 08, 2022	D304776
F2230336	Certificate of Analysis	Jul 08, 2022	D304776
F2230337	Certificate of Analysis	Jul 08, 2022	D304776

Chemical and Physical Properties

Boil Point(°C)	437.0±45.0°C at 760 mmHg
Molecular Weight	326.400 g/mol
XLogP3	4.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	326.152 Da
Monoisotopic Mass	326.152 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	393.000
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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