Research chemical
1,3-Di-tert-butyl-1H-benzo[d]imidazol-3-ium chloride
CAS Number: 946607-10-9
![1,3-Di-tert-butyl-1H-benzo[d]imidazol-3-ium chloride molecular structure, CAS 946607-10-9](/structure-images/946607-10-9.png?v=struct-v3)
Product details
Identity & specification
- Molecular formula
- C15H23ClN2
- Molecular weight
- 266.81 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
16218265
Exact Mass
266.15497
InChIKey
CMQDFXSMZLANNA-UHFFFAOYSA-M
IUPAC Name
1,3-ditert-butylbenzimidazol-3-ium chloride
SMILES String
CC([N+]1=CN(C(C)(C)C)C2=CC=CC=C12)(C)C.[Cl-]
Physical Properties
Appearance
White to Yellow Solid
Physical State
solid
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
18
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
0
Ring count
2
Aromatic rings
2
Topological polar surface area
8.81 Ų
Computed LogP
0.44
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
Research Catalog Compound - Documentation Required (CAS 946607-10-9) is listed for N-heterocycle ligand sourcing for coordination chemistry research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestProcurement questions
What are the key identifiers for 1,3-Di-tert-butyl-1H-benzo[d]imidazol-3-ium chloride (CAS 946607-10-9)?
1,3-Di-tert-butyl-1H-benzo[d]imidazol-3-ium chloride is identified by CAS 946607-10-9, with molecular formula C15H23ClN2, molecular weight 266.81, InChIKey CMQDFXSMZLANNA-UHFFFAOYSA-M.
Can I request a COA for CAS 946607-10-9?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1,3-Di-tert-butyl-1H-benzo[d]imidazol-3-ium chloride?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 946607-10-9 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.