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Methyl 5-bromo-2-chloro-4-fluorobenzoate - 97%, high purity , CAS No.1502717-31-8

COA

Grade & Purity:

≥97%

Cas Number: 1502717-31-8
Molecular Weight: 267.48
PubChem CID: 81429444
PubChem SID: 504772444

In stock

Item Number

M578665

Grouped product items
SKU	Size	Availability	Price
M578665-100mg	100mg	3	$56.90
M578665-250mg	250mg	3	$78.90
M578665-1g	1g	7	$248.90
M578665-5g	5g	5	$865.90

Basic Description

Synonyms	Methyl 5-bromo-2-chloro-4-fluorobenzoate \| 1502717-31-8 \| SCHEMBL18981860 \| CKC71731 \| MFCD24107115 \| AKOS020007269 \| CS-0193784 \| E92787 \| EN300-3224853
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Benzoyl derivatives Bromobenzenes Chlorobenzenes Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Vinylogous halides Methyl esters Organobromides Organochlorides Organofluorides Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organochloride - Organofluoride - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
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	504772444
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504772444
IUPAC Name	methyl 5-bromo-2-chloro-4-fluorobenzoate
INCHI	InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3H,1H3
InChIKey	JRAHMMKAIQOCDU-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=C(C=C1Cl)F)Br
Isomeric SMILES	COC(=O)C1=CC(=C(C=C1Cl)F)Br
Molecular Weight	267.48
Reaxy-Rn	38866923
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38866923&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2312665	Certificate of Analysis	Apr 28, 2023	M578665
F2312670	Certificate of Analysis	Apr 28, 2023	M578665
F2312669	Certificate of Analysis	Apr 28, 2023	M578665
F2312673	Certificate of Analysis	Apr 28, 2023	M578665
F2312678	Certificate of Analysis	Apr 28, 2023	M578665
F2312671	Certificate of Analysis	Apr 28, 2023	M578665
F2312668	Certificate of Analysis	Apr 28, 2023	M578665
F2312667	Certificate of Analysis	Apr 28, 2023	M578665

Chemical and Physical Properties

Molecular Weight	267.480 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	265.915 Da
Monoisotopic Mass	265.915 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	203.000
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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