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Methyl 4-bromo-2-chloro-6-fluorobenzoate - 97%, high purity , CAS No.1321613-02-8

COA

Grade & Purity:

≥97%

Cas Number: 1321613-02-8
Molecular Weight: 267.48
PubChem CID: 58072739
PubChem SID: 488201898

In stock

Item Number

M578611

Grouped product items
SKU	Size	Availability	Price
M578611-100mg	100mg	4	$13.90
M578611-250mg	250mg	4	$28.90
M578611-1g	1g	2	$501.90
M578611-5g	5g	2	$1,834.90
M578611-25g	25g	1	$6,668.90

Basic Description

Synonyms	METHYL 4-BROMO-2-CHLORO-6-FLUOROBENZOATE \| 1321613-02-8 \| MFCD22574196 \| Benzoic acid, 4-bromo-2-chloro-6-fluoro-, methyl ester \| SCHEMBL516651 \| DTXSID10728743 \| WCC61302 \| CL8932 \| AKOS027322280 \| DS-11882 \| SY258310 \| CS-0093855 \| METHYL4-BROMO-2-CHLORO-6-FLUOROBENZOATE \| A9299
Specifications & Purity	≥97%
Shipped In	Normal

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 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 - 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	488201898
IUPAC Name	methyl 4-bromo-2-chloro-6-fluorobenzoate
INCHI	InChI=1S/C8H5BrClFO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChIKey	MDFGLYHZCDEBLE-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=C(C=C1Cl)Br)F
Isomeric SMILES	COC(=O)C1=C(C=C(C=C1Cl)Br)F
Molecular Weight	267.48
Reaxy-Rn	22253512
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22253512&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
D2325883	Certificate of Analysis	Mar 25, 2023	M578611
D2325796	Certificate of Analysis	Mar 25, 2023	M578611
D2325876	Certificate of Analysis	Mar 25, 2023	M578611
D2325870	Certificate of Analysis	Mar 25, 2023	M578611
D2325829	Certificate of Analysis	Mar 25, 2023	M578611
D2325828	Certificate of Analysis	Mar 25, 2023	M578611
D2325882	Certificate of Analysis	Mar 25, 2023	M578611
D2325873	Certificate of Analysis	Mar 25, 2023	M578611
D2325865	Certificate of Analysis	Mar 25, 2023	M578611
D2325834	Certificate of Analysis	Mar 25, 2023	M578611

Chemical and Physical Properties

Molecular Weight	267.480 g/mol
XLogP3	3.100
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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