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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 4-bromo-1-methyl-1H-imidazole-2-carboxylate - ≥95% , CAS No.864076-05-1
Synonyms
AKOS015900674 | AMY19340 | J-522316 | ROEZBNMDDJUDSC-UHFFFAOYSA-N | MFCD13189816 | DTXSID50693360 | Methyl 4-bromo-1-methylimidazole-2-carboxylate | 4-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER | AB69178 | I10620 | AC-28881 | SCHEMBL202722
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Argon charged Ships Wet ice 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.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
AKOS015900674 | AMY19340 | J-522316 | ROEZBNMDDJUDSC-UHFFFAOYSA-N | MFCD13189816 | DTXSID50693360 | Methyl 4-bromo-1-methylimidazole-2-carboxylate | 4-BROMO-1-METHYL-1H-IMIDAZOLE-2-CARBOXYLIC ACID METHYL ESTER | AB69178 | I10620 | AC-28881 | SCHEMBL202722
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CN1C=C(N=C1C(=O)OC)Br IUPAC Name methyl 4-bromo-1-methylimidazole-2-carboxylate InChIKey ROEZBNMDDJUDSC-UHFFFAOYSA-N INCHI 1S/C6H7BrN2O2/c1-9-3-4(7)8-5(9)6(10)11-2/h3H,1-2H3 Isomeric SMILES CN1C=C(N=C1C(=O)OC)Br Alternate CAS 864076-05-1 Molecular Weight 219.04 Reaxy-Rn 19217979 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19217979&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.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Azoles Subclass Imidazoles Intermediate Tree Nodes Substituted imidazoles - Trisubstituted imidazoles Direct Parent 1,2,4-trisubstituted imidazoles Alternative Parents N-substituted imidazoles Aryl bromides Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 1,2,4-trisubstituted-imidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as 1,2,4-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 3. External Descriptors Not available Data sources 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.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 219.040 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 2 Exact Mass 217.969 Da Monoisotopic Mass 217.969 Da Topological Polar Surface Area 44.100 Ų Heavy Atom Count 11 Formal Charge 0 Complexity 165.000 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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