Methyl 5-bromosalicylate - ≥95% , CAS No.4068-76-2

CAS: 4068-76-2 Cat. No.: M170198 Molecular Weight: 231.04 EC Number: 223-776-4
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
AI3-04028 | methyl 5-bromo-2-hydroxyl-benzoate | 2-[(2,3-dimethylphenyl)amino]pyridine-3-carboxylic acid | A825237 | 5-BROMOSALICYLIC ACID METHYL ESTER | CL8514 | methyl-5-bromosalicylate | METHYL5-BROMOSALICYLATE | DTXSID0047878 | Benzoic acid, 5-bromo-2
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
M170198-1g
2
$9.90
5g
M170198-5g
9
$10.90
10g
M170198-10g
4

$16.90

$25.90
Save $9.00 (34.75%)
25g
M170198-25g
9

$35.90

$53.90
Save $18.00 (33.40%)
100g
M170198-100g
5

$124.90

$187.90
Save $63.00 (33.53%)
500g
M170198-500g
1

$623.90

$935.90
Save $312.00 (33.34%)
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Methyl 5-bromosalicylate was used as starting reagent in the synthesis of immobilization precursor of photoswitchable piperidine base.

Specifications

Synonyms
AI3-04028 | methyl 5-bromo-2-hydroxyl-benzoate | 2-[(2, 3-dimethylphenyl)amino]pyridine-3-carboxylic acid | A825237 | 5-BROMOSALICYLIC ACID METHYL ESTER | CL8514 | methyl-5-bromosalicylate | METHYL5-BROMOSALICYLATE | DTXSID0047878 | Benzoic acid, 5-bromo-2
Specifications & Purity
≥95%
Storage
Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid488185445
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488185445
Canonical SmilesCOC(=O)C1=C(C=CC(=C1)Br)O
IUPAC Namemethyl 5-bromo-2-hydroxybenzoate
InChIKeyFJYDBKPPGRZSOZ-UHFFFAOYSA-N
INCHI1S/C8H7BrO3/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4,10H,1H3
Isomeric SMILES COC(=O)C1=C(C=CC(=C1)Br)O
WGK Germany 3
Molecular Weight 231.04
Reaxy-Rn 3047854
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3047854&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Benzoic acid esters
Direct Parento-Hydroxybenzoic acid esters
Alternative Parents Salicylic acid and derivatives  3-halobenzoic acids and derivatives  P-bromophenols  Benzoyl derivatives  Bromobenzenes  1-hydroxy-2-unsubstituted benzenoids  Aryl bromides  Vinylogous acids  Methyl esters  Monocarboxylic acids and derivatives  Organooxygen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Benzoyl - 4-bromophenol - 4-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





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.

9 results found

Lot NumberCertificate TypeDateItem
F2615039Certificate of AnalysisJun 24, 2026 M170198
A2626155Certificate of AnalysisFeb 06, 2026 M170198
K2230142Certificate of AnalysisSep 04, 2025 M170198
K2230137Certificate of AnalysisSep 04, 2025 M170198
I2202664Certificate of AnalysisJun 06, 2025 M170198
I2202670Certificate of AnalysisJun 06, 2025 M170198
I2202672Certificate of AnalysisJun 06, 2025 M170198
I2202673Certificate of AnalysisJun 06, 2025 M170198
C1927066Certificate of AnalysisNov 11, 2024 M170198
Chemical and Physical Properties
Boil Point(°C)264 - 266 °C at 760 mmHg
Melt Point(°C)61-65℃
Molecular Weight231.040 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass229.958 Da
Monoisotopic Mass229.958 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count12
Formal Charge0
Complexity172.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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