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Methyl 3-bromo-5-chloro-2-hydroxybenzoate - 97%, high purity , CAS No.4068-71-7

COA

Grade & Purity:

≥97%

Cas Number: 4068-71-7
Molecular Weight: 265.49
PubChem CID: 53419622
PubChem SID: 504771235

In stock

Item Number

M193282

Grouped product items
SKU	Size	Availability	Price
M193282-250mg	250mg	3	$23.90
M193282-1g	1g	2	$59.90
M193282-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$196.90

Basic Description

Synonyms	METHYL 3-BROMO-5-CHLORO-2-HYDROXYBENZOATE \| 4068-71-7 \| Methyl3-bromo-5-chloro-2-hydroxybenzoate \| SCHEMBL3203329 \| DTXSID70697527 \| HBQLSLQUWRIFDB-UHFFFAOYSA-N \| AMY41229 \| MFCD06203697 \| AKOS016010690 \| TS-03490 \| CS-0103682 \| C75060
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	3-halobenzoic acids and derivatives Salicylic acid and derivatives P-chlorophenols Benzoyl derivatives O-bromophenols Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Methyl esters Vinylogous acids Organochlorides Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - 4-halophenol - 2-halophenol - 2-bromophenol - Benzoyl - 4-chlorophenol - Halobenzene - Chlorobenzene - Bromobenzene - Phenol - Aryl chloride - Aryl halide - Aryl bromide - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organochloride - 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	504771235
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771235
IUPAC Name	methyl 3-bromo-5-chloro-2-hydroxybenzoate
INCHI	InChI=1S/C8H6BrClO3/c1-13-8(12)5-2-4(10)3-6(9)7(5)11/h2-3,11H,1H3
InChIKey	HBQLSLQUWRIFDB-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C(=CC(=C1)Cl)Br)O
Isomeric SMILES	COC(=O)C1=C(C(=CC(=C1)Cl)Br)O
Molecular Weight	265.49
Reaxy-Rn	2096558
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096558&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
C2019122	Certificate of Analysis	Jul 09, 2025	M193282

Chemical and Physical Properties

Sensitivity	light sensitive
Molecular Weight	265.490 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	263.919 Da
Monoisotopic Mass	263.919 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200.000
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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