1-Benzyl-3-methylimidazolium hexafluorophosphate - ≥97% , CAS No.433337-11-2

CAS: 433337-11-2 Cat. No.: B170346 Molecular Weight: 318.2 EC Number: 628-810-5 PubChem CID: 11461285

2 Citations COA

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1-Benzyl-3-methylimidazolium hexafluorophosphate - ≥97% CAS No(433337-11-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Citations of This Product References Solution Calculators Reviews

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature,Argon charged 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid	488197528
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488197528
Canonical Smiles	C[N+]1=CN(C=C1)CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F
IUPAC Name	1-benzyl-3-methylimidazol-3-ium;hexafluorophosphate
InChIKey	VVCQOUQQPZPIKL-UHFFFAOYSA-N
INCHI	1S/C11H13N2.F6P/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;1-7(2,3,4,5)6/h2-8,10H,9H2,1H3;/q+1;-1
Isomeric SMILES	C[N+]1=CN(C=C1)CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F
WGK Germany	3
PubChem CID	11461285
Molecular Weight	318.2

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Imidazoles
      - Level5 Substituted imidazoles
        Level6 N-substituted imidazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Imidazoles
Intermediate Tree Nodes	Substituted imidazoles
Direct Parent	N-substituted imidazoles
Alternative Parents	Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This 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
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. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Item
C2317477	Certificate of Analysis	Jan 19, 2026	B170346
C2317475	Certificate of Analysis	Jan 19, 2026	B170346
L2201082	Certificate of Analysis	Sep 10, 2025	B170346
I2222515	Certificate of Analysis	Jul 18, 2025	B170346
I2222516	Certificate of Analysis	Jul 18, 2025	B170346
I2222527	Certificate of Analysis	Jul 18, 2025	B170346
J1810109	Certificate of Analysis	May 09, 2024	B170346
J1810108	Certificate of Analysis	May 09, 2024	B170346

Sensitivity	Hygroscopic
Melt Point(°C)	132 °C
Molecular Weight	318.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	318.072 Da
Monoisotopic Mass	318.072 Da
Topological Polar Surface Area	8.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	215.000
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	2