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Methyl 3-bromo-2-hydroxybenzoate - 97%, high purity , CAS No.28165-45-9

COA

Grade & Purity:

≥97%

Cas Number: 28165-45-9
Molecular Weight: 231
PubChem CID: 53811441
PubChem SID: 488201661

In stock

Item Number

M183404

Grouped product items
SKU	Size	Availability	Price
M183404-100mg	100mg	3	$18.90
M183404-250mg	250mg	3	$37.90
M183404-1g	1g	2	$75.90
M183404-5g	5g	1	$273.90
M183404-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$947.90

Discover Methyl 3-bromo-2-hydroxybenzoate by Aladdin Scientific in 97% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Methyl 3-bromo-2-hydroxybenzoate \| 28165-45-9 \| Methyl3-bromo-2-hydroxybenzoate \| MFCD10566798 \| SCHEMBL8852644 \| DTXSID90706842 \| WZHOTUVSKJWGMS-UHFFFAOYSA-N \| AKOS022171758 \| CS-W022823 \| DS-2991 \| SY026381 \| A876772
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
      - Level5 Benzoic acid esters
        Level6 o-Hydroxybenzoic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acid esters
Direct Parent	o-Hydroxybenzoic acid esters
Alternative Parents	Salicylic acid and derivatives 3-halobenzoic acids and derivatives O-bromophenols Benzoyl derivatives Bromobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl bromides Vinylogous acids Methyl esters Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Benzoyl - 2-halophenol - 2-bromophenol - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group.
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	488201661
IUPAC Name	methyl 3-bromo-2-hydroxybenzoate
INCHI	InChI=1S/C8H7BrO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
InChIKey	WZHOTUVSKJWGMS-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=CC=C1)Br)O
Isomeric SMILES	COC(=O)C1=C(C(=CC=C1)Br)O
Molecular Weight	231
Reaxy-Rn	3530339
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3530339&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
K2110716	Certificate of Analysis	Aug 16, 2023	M183404
K1905155	Certificate of Analysis	Jun 08, 2023	M183404

Chemical and Physical Properties

Molecular Weight	231.040 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	229.958 Da
Monoisotopic Mass	229.958 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	172.000
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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