Skip to the beginning of the images gallery

methyl3-bromo-5-fluorobenzoate - 98%, high purity , CAS No.334792-52-8

COA

Grade & Purity:

≥98%

Cas Number: 334792-52-8
Molecular Weight: 233.04
MDL number: MFCD07780735
PubChem CID: 21942598
PubChem SID: 504769096

In stock

Item Number

M133379

Grouped product items
SKU	Size	Availability	Price
M133379-1g	1g	2	$80.90
M133379-5g	5g	1	$263.90
M133379-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$473.90
M133379-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,065.90

Basic Description

Synonyms	METHYL 3-BROMO-5-FLUOROBENZOATE \| 334792-52-8 \| MFCD07780735 \| 3-BROMO-5-FLUOROBENZOIC ACID METHYL ESTER \| BENZOIC ACID, 3-BROMO-5-FLUORO-, METHYL ESTER \| SCHEMBL2825430 \| methyl-3-bromo-5-fluorobenzoate \| DTXSID70620512 \| JERAACCIOWRRQA-UHFFFAOYSA-N \| AB9637 \| BBL100433 \| STL
Specifications & Purity	≥98%
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 Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Methyl esters Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organic oxygen compound - Organofluoride - Organooxygen compound - Organic oxide - 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	504769096
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769096
IUPAC Name	methyl 3-bromo-5-fluorobenzoate
INCHI	InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey	JERAACCIOWRRQA-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC(=CC(=C1)Br)F
Isomeric SMILES	COC(=O)C1=CC(=CC(=C1)Br)F
Molecular Weight	233.04
Reaxy-Rn	10531190
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10531190&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.

2 results found

Lot Number	Certificate Type	Date	Item
K2322102	Certificate of Analysis	Dec 01, 2023	M133379
E1723076	Certificate of Analysis	Nov 18, 2022	M133379

Chemical and Physical Properties

Molecular Weight	233.030 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	231.954 Da
Monoisotopic Mass	231.954 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

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