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Dimethyl 4,4'-Biphenyldicarboxylate - >98.0%, high purity , CAS No.792-74-5

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Dimethyl 4,4'-Biphenyldicarboxylate - >98.0%, high purity , CAS No.792-74-5

COA

Grade & Purity:

≥98%

Cas Number: 792-74-5
Molecular Weight: 270.28
EC Number: 212-341-4
MDL number: MFCD00017201
PubChem CID: 13099
PubChem SID: 488181792

In stock

Item Number

D155866

Grouped product items
SKU	Size	Availability	Price
D155866-1g	1g	5	$9.90
D155866-5g	5g	3	$35.90
D155866-10g	10g	2	$63.90
D155866-25g	25g	4	$96.90
D155866-100g	100g	2	$348.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

Synonyms	SR-01000397421 \| SY057043 \| W-111708 \| Dimethyl biphenyl-4,4'-dicarboxylate \| EINECS 212-341-4 \| DB12475 \| Dimethyl (1,1'-biphenyl)-4,4'-dicarboxylate \| F15436 \| SMR000304587 \| (1,1'-Biphenyl)-4,4'-dicarboxylic acid, dimethyl ester \| MFCD00017201 \| Dimeth
Specifications & Purity	≥98%
Shipped In	Normal
Product Description	Dimethyl biphenyl-4,4′-dicarboxylate is a planar biphenyldicarboxylic acid ester. Crystal data of dimethyl biphenyl-4, 4′-dicarboxylate has been reported. Dimethyl biphenyl-4,4′-dicarboxylate may be employed as starting reagent for the synthesis of dimethyl 2-fluoro-and 2,2′-difluorobiphenyl-4,4′-dicarboxylates.

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 Dicarboxylic acids and derivatives Methyl esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Biphenyl - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - 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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488181792
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181792
IUPAC Name	methyl 4-(4-methoxycarbonylphenyl)benzoate
INCHI	InChI=1S/C16H14O4/c1-19-15(17)13-7-3-11(4-8-13)12-5-9-14(10-6-12)16(18)20-2/h3-10H,1-2H3
InChIKey	BKRIRZXWWALTPU-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC
WGK Germany	3
Molecular Weight	270.28
Reaxy-Rn	2055852
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2055852&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.

15 results found

Lot Number	Certificate Type	Date	Item
L1910059	Certificate of Analysis	Sep 08, 2023	D155866
K1914146	Certificate of Analysis	Sep 04, 2023	D155866
F2303238	Certificate of Analysis	Jan 04, 2023	D155866
F2303220	Certificate of Analysis	Jan 04, 2023	D155866
F2303234	Certificate of Analysis	Jan 04, 2023	D155866
F2303240	Certificate of Analysis	Jan 04, 2023	D155866
F2303243	Certificate of Analysis	Jan 04, 2023	D155866
F2303230	Certificate of Analysis	Jan 04, 2023	D155866
G2402137	Certificate of Analysis	Jan 04, 2023	D155866
F2303222	Certificate of Analysis	Jan 04, 2023	D155866
F2303226	Certificate of Analysis	Jan 04, 2023	D155866
I1825036	Certificate of Analysis	Jul 20, 2022	D155866
F2214503	Certificate of Analysis	May 27, 2022	D155866
F2214538	Certificate of Analysis	May 27, 2022	D155866
F2214286	Certificate of Analysis	May 27, 2022	D155866

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Chemical and Physical Properties

Solubility	Insoluble in water.
Melt Point(°C)	213-215℃
Molecular Weight	270.280 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	270.089 Da
Monoisotopic Mass	270.089 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	302.000
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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