dimethyl 1-methylimidazole-2,4-dicarboxylate - ≥97% , CAS No.84198-72-1

CAS: 84198-72-1 Cat. No.: D634640 Molecular Weight: 198.18 PubChem CID: 12791928
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
D79404 | DTXSID30509995 | Dimethyl 1-methyl-1H-imidazole-2,4-dicarboxylate | SB73950 | dimethyl 1-methylimidazole-2,4-dicarboxylate | 1H-Imidazole-2,4-dicarboxylic acid, 1-methyl-, dimethyl ester | SCHEMBL8403570 | SY323128 | 2,4-DIMETHYL 1-METHYL-1H-IMID
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
100mg
D634640-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$257.90
250mg
D634640-250mg
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$411.90
500mg
D634640-500mg
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$686.90
1g
D634640-1g
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$1,029.90
5g
D634640-5g
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$5,148.90
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Why this grade

≥97% 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.

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Literature proof

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

Specifications

Synonyms
D79404 | DTXSID30509995 | Dimethyl 1-methyl-1H-imidazole-2, 4-dicarboxylate | SB73950 | dimethyl 1-methylimidazole-2, 4-dicarboxylate | 1H-Imidazole-2, 4-dicarboxylic acid, 1-methyl-, dimethyl ester | SCHEMBL8403570 | SY323128 | 2, 4-DIMETHYL 1-METHYL-1H-IMID
Specifications & Purity
≥97%
Storage
Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Canonical SmilesCN1C=C(N=C1C(=O)OC)C(=O)OC
IUPAC Namedimethyl 1-methylimidazole-2,4-dicarboxylate
InChIKeyJDFPZBAIRVXQKW-UHFFFAOYSA-N
INCHI1S/C8H10N2O4/c1-10-4-5(7(11)13-2)9-6(10)8(12)14-3/h4H,1-3H3
Isomeric SMILES CN1C=C(N=C1C(=O)OC)C(=O)OC
Alternate CAS 84198-72-1
PubChem CID 12791928
Molecular Weight 198.18

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
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles - Trisubstituted imidazoles
Direct Parent1,2,4-trisubstituted imidazoles
Alternative Parents Carbonylimidazoles  N-substituted imidazoles  Vinylogous amides  Methyl esters  Heteroaromatic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1,2,4-trisubstituted-imidazole - Imidazole-4-carbonyl group - N-substituted imidazole - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis 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
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 Weight198.180 g/mol
XLogP30.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass198.064 Da
Monoisotopic Mass198.064 Da
Topological Polar Surface Area70.400 Ų
Heavy Atom Count14
Formal Charge0
Complexity243.000
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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