1-Benzyl-3-methylImidazolium - ≥98% , CAS No.65039-11-4

CAS: 65039-11-4 Cat. No.: B768437 Molecular Weight: 253.14 PubChem CID: 12392668
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
3-Benzyl-1-methyl-1H-imidazol-3-ium bromide | 1-Benzyl-3-methyl-1H-imidazol-3-ium bromide
Storage
Protected from light,Room temperature,Argon charged,Desiccated,Cool
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B768437-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
5g
B768437-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$27.90
25g
B768437-25g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$55.90
100g
B768437-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$186.90
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Why this grade

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

🌡

Storage & shipping

Protected from light,Room temperature,Argon charged,Desiccated,Cool Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
3-Benzyl-1-methyl-1H-imidazol-3-ium bromide | 1-Benzyl-3-methyl-1H-imidazol-3-ium bromide
Specifications & Purity
≥98%
Storage
Protected from light, Room temperature, Argon charged, Desiccated, Cool
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesC[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]
IUPAC Name1-benzyl-3-methylimidazol-3-ium;bromide
InChIKeyVBLZTUCAWYJIMG-UHFFFAOYSA-M
INCHI1S/C11H13N2.BrH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
Isomeric SMILES C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]
PubChem CID 12392668
Molecular Weight 253.14

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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentN-substituted imidazoles
Alternative Parents Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Organonitrogen compounds  Organic bromide salts  Hydrocarbon derivatives  Organic cations  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
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
D2622164Certificate of AnalysisApr 02, 2026 B768437
D2622165Certificate of AnalysisApr 02, 2026 B768437
D2630508Certificate of AnalysisApr 02, 2026 B768437
D2630509Certificate of AnalysisApr 02, 2026 B768437
Chemical and Physical Properties
SensitivityLight sensitive;Air sensitive
Molecular Weight253.140 g/mol
XLogP3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass252.026 Da
Monoisotopic Mass252.026 Da
Topological Polar Surface Area8.800 Ų
Heavy Atom Count14
Formal Charge0
Complexity152.000
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
Citations of This Product
References
1. Jinqi Ye, Nasha Zeng, Lili Wang, Keying Zheng, Junyi Lu, Minghua Wu.  (2025)  Preparation and properties of end-group cross-linked organosilicon modified waterborne polyurethane for digital inkjet dyeing of polyester without washing.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128928]
Solution Calculators
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