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Methyl 3-amino-2,6-dibromo-4-chlorobenzoate - 97%, high purity , CAS No.1187386-29-3

COA

Grade & Purity:

≥97%

Cas Number: 1187386-29-3
Molecular Weight: 343.4
PubChem CID: 46739613

In stock

Item Number

M179951

Grouped product items
SKU	Size	Availability	Price
M179951-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$650.90
M179951-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,566.90
M179951-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,731.90

Discover Methyl 3-amino-2,6-dibromo-4-chlorobenzoate by Aladdin Scientific in 97% for only $650.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 3-Amino-2,6-dibromo-4-chlorobenzoate \| 1187386-29-3 \| C8H6Br2ClNO2 \| Methyl3-amino-2,6-dibromo-4-chlorobenzoate \| DTXSID10675208 \| MFCD12546531 \| AKOS015854584 \| SB82822 \| BS-26101
Specifications & Purity	≥97%
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	2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Aminobenzoic acids and derivatives 2-bromoanilines Benzoyl derivatives Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides Vinylogous halides Methyl esters Amino acids and derivatives Hydrocarbon derivatives Primary amines Organobromides Organochlorides Organooxygen compounds Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - 2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aniline or substituted anilines - 2-bromoaniline - Benzoyl - Bromobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Aryl bromide - Vinylogous halide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Amine - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organochloride - 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

IUPAC Name	methyl 3-amino-2,6-dibromo-4-chlorobenzoate
INCHI	InChI=1S/C8H6Br2ClNO2/c1-14-8(13)5-3(9)2-4(11)7(12)6(5)10/h2H,12H2,1H3
InChIKey	WCJCQMMPDRWOFL-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=C(C(=C1Br)N)Cl)Br
Isomeric SMILES	COC(=O)C1=C(C=C(C(=C1Br)N)Cl)Br
PubChem CID	46739613
Molecular Weight	343.4

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	343.400 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	342.843 Da
Monoisotopic Mass	340.845 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229.000
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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