Skip to the beginning of the images gallery

Methyl 4-bromo-3-methoxybenzoate - 98%, high purity , CAS No.17100-63-9

COA

Grade & Purity:

≥98%

Cas Number: 17100-63-9
Molecular Weight: 245.07
PubChem CID: 14570117
PubChem SID: 488198690

In stock

Item Number

M182039

Grouped product items
SKU	Size	Availability	Price
M182039-250mg	250mg	9	$9.90
M182039-1g	1g	3	$16.90
M182039-5g	5g	3	$33.90
M182039-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
M182039-25g	25g	3	$123.90
M182039-100g	100g	2	$486.90

Discover Methyl 4-bromo-3-methoxybenzoate by Aladdin Scientific in 98% for only $9.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	methyl 4-bromo-3-methoxybenzoate \| 17100-63-9 \| Methyl 4-bromo-3-methoxy-benzoate \| 4-bromo-3-methoxy-benzoic acid methyl ester \| MFCD08436018 \| Benzoic acid, 4-bromo-3-methoxy-, methyl ester \| SCHEMBL426745 \| DTXSID10561758 \| XLKDKHRGIJWOSN-UHFFFAOYSA-N \| BCP27162 \| AKOS015
Specifications & Purity	≥98%
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 Methoxybenzoic acids and derivatives
        Level6 M-methoxybenzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Methoxybenzoic acids and derivatives
Direct Parent	M-methoxybenzoic acids and derivatives
Alternative Parents	Benzoic acid esters 4-halobenzoic acids and derivatives Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Methyl esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-methoxybenzoic acid or derivatives - Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Methoxybenzene - Anisole - Phenol ether - Benzoyl - Phenoxy compound - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy 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	488198690
IUPAC Name	methyl 4-bromo-3-methoxybenzoate
INCHI	InChI=1S/C9H9BrO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChIKey	XLKDKHRGIJWOSN-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1)C(=O)OC)Br
Isomeric SMILES	COC1=C(C=CC(=C1)C(=O)OC)Br
Molecular Weight	245.07
Reaxy-Rn	2096911
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096911&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.

4 results found

Lot Number	Certificate Type	Date	Item
I1926119	Certificate of Analysis	Mar 18, 2025	M182039
K2130469	Certificate of Analysis	Sep 15, 2023	M182039
K2130471	Certificate of Analysis	Sep 15, 2023	M182039
K2130470	Certificate of Analysis	Sep 15, 2023	M182039

Chemical and Physical Properties

Molecular Weight	245.070 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	243.974 Da
Monoisotopic Mass	243.974 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	184.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration