1,3-Dimethyl-1H-benzimidazolium iodide - ≥98% , CAS No.7181-87-5

CAS: 7181-87-5 Cat. No.: D487249 Molecular Weight: 274.11 PubChem CID: 11821793
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SCHEMBL1744004 | 1,3-dimethyl-1H-1,3-benzodiazol-3-ium iodide | NSC27984 | NSC-27984 | 1,3-dimethylbenzimidazolium iodide | 1,3-Dimethyl-benzimidazolium iodide | AKOS022182930 | 1,3-Dimethyl-1H-benzo[d]imidazol-3-iumiodide | RQGURHMTNSNBQX-UHFFFAOYSA-M |
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
D487249-250mg
4

$25.90

$38.90
Save $13.00 (33.42%)
1g
D487249-1g
4

$90.90

$136.90
Save $46.00 (33.60%)
5g
D487249-5g
3

$433.90

$650.90
Save $217.00 (33.34%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Overview

Description

Catalyst for:Domino ring-opening redox amidation Knoevenagel condensationIntramolecular stereoselective protonationGrignard allylic substitutionAcylation of alcoholsUmpolung reactions


Application

Catalyst for:

Domino ring-opening redox amidation Knoevenagel condensation

Intramolecular stereoselective protonation

Grignard allylic substitution

Acylation of alcohols

Umpolung reactions

Specifications

Synonyms
SCHEMBL1744004 | 1, 3-dimethyl-1H-1, 3-benzodiazol-3-ium iodide | NSC27984 | NSC-27984 | 1, 3-dimethylbenzimidazolium iodide | 1, 3-Dimethyl-benzimidazolium iodide | AKOS022182930 | 1, 3-Dimethyl-1H-benzo[d]imidazol-3-iumiodide | RQGURHMTNSNBQX-UHFFFAOYSA-M |
Specifications & Purity
≥98%
Storage
Room temperature
Purity
≥98%
Names and Identifiers
Pubchem Sid488197770
Canonical SmilesCN1C=[N+](C2=CC=CC=C21)C.[I-]
IUPAC Name1,3-dimethylbenzimidazol-3-ium;iodide
InChIKeyRQGURHMTNSNBQX-UHFFFAOYSA-M
INCHI1S/C9H11N2.HI/c1-10-7-11(2)9-6-4-3-5-8(9)10;/h3-7H,1-2H3;1H/q+1;/p-1
Isomeric SMILES CN1C=[N+](C2=CC=CC=C21)C.[I-]
PubChem CID 11821793
Molecular Weight 274.11

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
SuperclassOrganoheterocyclic compounds
ClassBenzimidazoles
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzimidazoles
Alternative Parents N-substituted imidazoles  Benzenoids  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organic iodide salts  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzimidazole - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic iodide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
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.

4 results found

Lot NumberCertificate TypeDateItem
C23111029Certificate of AnalysisJan 12, 2026 D487249
C23111019Certificate of AnalysisJan 12, 2026 D487249
C23111032Certificate of AnalysisDec 16, 2025 D487249
C2518305Certificate of AnalysisJan 07, 2023 D487249
Chemical and Physical Properties
Melt Point(°C)137-142 °C
Molecular Weight274.100 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass273.997 Da
Monoisotopic Mass273.997 Da
Topological Polar Surface Area8.800 Ų
Heavy Atom Count12
Formal Charge0
Complexity130.000
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 Count2
Documents & Articles
Solution Calculators
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