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Methyl 2,3-diamino-5-bromobenzoate - 97%, high purity , CAS No.1248541-63-0

COA

Grade & Purity:

≥97%

Cas Number: 1248541-63-0
Molecular Weight: 245.07
PubChem CID: 58073920

In stock

Item Number

M190290

Grouped product items
SKU	Size	Availability	Price
M190290-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$26.90
M190290-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
M190290-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90
M190290-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$694.90

Discover Methyl 2,3-diamino-5-bromobenzoate by Aladdin Scientific in 97% for only $26.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 2,3-diamino-5-bromobenzoate \| 1248541-63-0 \| 2,3-Diamino-5-bromobenzoic acid methyl ester \| Benzoic acid, 2,3-diamino-5-bromo-, methyl ester \| MFCD20037660 \| Benzoic acid, 2,?3-?diamino-?5-?bromo-?, methyl ester \| 2,3-Diamino-5-bromo-benzoic acid methyl ester \|
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	Aminobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzoyl derivatives Aniline and substituted anilines Bromobenzenes Aryl bromides Vinylogous amides Methyl esters Amino acids and derivatives Primary amines Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Aniline or substituted anilines - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid derivative - Organobromide - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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

IUPAC Name	methyl 2,3-diamino-5-bromobenzoate
INCHI	InChI=1S/C8H9BrN2O2/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3H,10-11H2,1H3
InChIKey	GBHLKSOAANWXOZ-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=CC(=C1)Br)N)N
Isomeric SMILES	COC(=O)C1=C(C(=CC(=C1)Br)N)N
Molecular Weight	245.07
Reaxy-Rn	14438252
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14438252&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	245.070 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	243.985 Da
Monoisotopic Mass	243.985 Da
Topological Polar Surface Area	78.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	201.000
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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