Methyl 4-((5-bromopyrimidin-2-yl)oxy)benzoate - ≥98% , CAS No.926304-76-9

CAS: 926304-76-9 Cat. No.: M195880 Molecular Weight: 309.12
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
AKOS008228789 | DS-0238 | MFCD09743706 | 4-(5-bromo-pyrimidin-2-yloxy)-benzoic acid methyl ester | 4-(5-bromopyrimidin-2-yloxy)benzoic acid methyl ester | Methyl 4-(5-bromopyrimidin-2-yloxy)benzoate | methyl 4-(5-bromopyrimidin-2-yl)oxybenzoate | C12H9BrN
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
M195880-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$11.90
1g
M195880-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$18.90
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Why this grade

≥98% 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.

Specifications

Synonyms
AKOS008228789 | DS-0238 | MFCD09743706 | 4-(5-bromo-pyrimidin-2-yloxy)-benzoic acid methyl ester | 4-(5-bromopyrimidin-2-yloxy)benzoic acid methyl ester | Methyl 4-(5-bromopyrimidin-2-yloxy)benzoate | methyl 4-(5-bromopyrimidin-2-yl)oxybenzoate | C12H9BrN
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCOC(=O)C1=CC=C(C=C1)OC2=NC=C(C=N2)Br
IUPAC Namemethyl 4-(5-bromopyrimidin-2-yl)oxybenzoate
InChIKeyCVRYSDLIBPCSQF-UHFFFAOYSA-N
INCHI1S/C12H9BrN2O3/c1-17-11(16)8-2-4-10(5-3-8)18-12-14-6-9(13)7-15-12/h2-7H,1H3
Isomeric SMILES COC(=O)C1=CC=C(C=C1)OC2=NC=C(C=N2)Br
Molecular Weight 309.12
Reaxy-Rn 15468180
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15468180&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.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassEthers
Intermediate Tree Nodes Not available
Direct ParentDiarylethers
Alternative Parents Benzoic acid esters  Phenoxy compounds  Phenol ethers  Benzoyl derivatives  Halopyrimidines  Aryl bromides  Methyl esters  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diaryl ether - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Halopyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
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:
Chemical and Physical Properties
Molecular Weight309.110 g/mol
XLogP32.600
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass307.98 Da
Monoisotopic Mass307.98 Da
Topological Polar Surface Area61.300 Ų
Heavy Atom Count18
Formal Charge0
Complexity274.000
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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