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Methyl 3-bromo-2-chlorobenzoate - 95%, high purity , CAS No.871224-19-0

COA

Grade & Purity:

≥95%

Cas Number: 871224-19-0
Molecular Weight: 249.49
PubChem CID: 67516858
PubChem SID: 488202100

In stock

Item Number

M195451

Grouped product items
SKU	Size	Availability	Price
M195451-50mg	50mg	5	$9.90
M195451-250mg	250mg	5	$28.90
M195451-1g	1g	4	$58.90
M195451-5g	5g	4	$247.90
M195451-10g	10g	2	$444.90
M195451-25g	25g	2	$1,000.90

Basic Description

Synonyms	Methyl 3-bromo-2-chlorobenzoate \| 871224-19-0 \| Methyl3-bromo-2-chlorobenzoate \| SCHEMBL2730695 \| OWPJVOSLLKRKQJ-UHFFFAOYSA-N \| WJB22419 \| MFCD18398720 \| TD1033 \| AKOS022178291 \| DS-8089 \| CS-0031442 \| FT-0707625
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	3-halobenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzoyl derivatives Fatty acid esters Chlorobenzenes Bromobenzenes Vinylogous halides Methyl esters Enoate esters Vinyl chlorides Vinyl bromides Monocarboxylic acids and derivatives Chloroalkenes Bromoalkenes Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoate ester - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Bromobenzene - Fatty acyl - Vinylogous halide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Chloroalkene - Bromoalkene - Haloalkene - Vinyl halide - Vinyl chloride - Vinyl bromide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organobromide - Organohalogen compound - 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	488202100
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488202100
IUPAC Name	methyl 3-bromo-2-chlorobenzoate
INCHI	InChI=1S/C8H6BrClO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
InChIKey	OWPJVOSLLKRKQJ-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=CC=C1)Br)Cl
Isomeric SMILES	COC(=O)C1=C(C(=CC=C1)Br)Cl
Molecular Weight	249.49
Reaxy-Rn	15418710
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15418710&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.

12 results found

Lot Number	Certificate Type	Date	Item
D2313186	Certificate of Analysis	Mar 02, 2023	M195451
D2313187	Certificate of Analysis	Mar 02, 2023	M195451
D2313192	Certificate of Analysis	Mar 02, 2023	M195451
D2313188	Certificate of Analysis	Mar 02, 2023	M195451
D2313189	Certificate of Analysis	Mar 02, 2023	M195451
D2313190	Certificate of Analysis	Mar 02, 2023	M195451
D2313147	Certificate of Analysis	Mar 02, 2023	M195451
D2313195	Certificate of Analysis	Mar 02, 2023	M195451
D2313191	Certificate of Analysis	Mar 02, 2023	M195451
D2313298	Certificate of Analysis	Mar 02, 2023	M195451
D2313193	Certificate of Analysis	Mar 02, 2023	M195451
D2313194	Certificate of Analysis	Mar 02, 2023	M195451

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Chemical and Physical Properties

Molecular Weight	249.490 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	247.924 Da
Monoisotopic Mass	247.924 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	174.000
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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