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Methyl 4-(4-chlorophenyl)benzoate - 97%, high purity , CAS No.89901-02-0

COA

Grade & Purity:

≥97%

Cas Number: 89901-02-0
Molecular Weight: 246.69
MDL number: MFCD04117794
PubChem CID: 737630
PubChem SID: 488191404

In stock

Item Number

M467454

Grouped product items
SKU	Size	Availability	Price
M467454-250mg	250mg	3	$70.90
M467454-1g	1g	2	$84.90
M467454-5g	5g	1	$378.90

Basic Description

Synonyms	DTXSID90353274 \| J-522326 \| AKOS002679497 \| methyl 4'-chlorobiphenyl-4-carboxylate \| BB 0222608 \| 2X-0700 \| E89778 \| Methyl 4'-chloro-[1,1'-biphenyl]-4-carboxylate \| Methyl 4'-chloro[1,1'-biphenyl]-4-carboxylate \| SCHEMBL14926631 \| MFCD04117794 \| FT-06802
Specifications & Purity	≥97%

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	Chlorinated biphenyls
Alternative Parents	Benzoic acid esters Benzoyl derivatives Chlorobenzenes Aryl chlorides Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Chlorinated biphenyl - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as chlorinated biphenyls. These are organic compounds containing at least one chlorine atom attached to either benzene ring of the biphenyl moiety.
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	488191404
IUPAC Name	methyl 4-(4-chlorophenyl)benzoate
INCHI	InChI=1S/C14H11ClO2/c1-17-14(16)12-4-2-10(3-5-12)11-6-8-13(15)9-7-11/h2-9H,1H3
InChIKey	UJIUMBFXWGXMOV-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Cl
Molecular Weight	246.69
Reaxy-Rn	3282256
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3282256&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
H2331739	Certificate of Analysis	Aug 15, 2023	M467454
H2331738	Certificate of Analysis	Aug 15, 2023	M467454
H2331742	Certificate of Analysis	Aug 15, 2023	M467454
H2331740	Certificate of Analysis	Aug 15, 2023	M467454
H2331741	Certificate of Analysis	Aug 15, 2023	M467454
H2331743	Certificate of Analysis	Aug 15, 2023	M467454

Chemical and Physical Properties

Molecular Weight	246.690 g/mol
XLogP3	4.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	246.045 Da
Monoisotopic Mass	246.045 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	251.000
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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