Research chemical
CAS Number: 100012-45-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16212601
Exact Mass
710.204997
InChIKey
ARGQPGULWAESKB-UHFFFAOYSA-N
IUPAC Name
(2E)-6-chloro-2-[(2E)-2-[3-[(E)-2-(6-chloro-1-ethylbenzo[cd]indol-1-ium-2-yl)ethenyl]-2-phenylcyclopent-2-en-1-ylidene]ethylidene]-1-ethylbenzo[cd]indole tetrafluoroborate
SMILES String
CCn1/c(=C/C=C2\CCC(/C=C/C3=[N+](CC)c4ccc(Cl)c5cccc3c45)=C2c2ccccc2)c2cccc3c(Cl)ccc1c32.F[B-](F)(F)F
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
6-Chloro-2-(2-(3-((6-chloro-1-ethylbenz(c,d,)indole-2(1H)-ylidene)ethyl idene)-2-phenyl-1-cyclopenten-1-yl)ethenyl)-1-ethylbenz(c,d)indolium tetrafluoroborate is identified by CAS 100012-45-1, with molecular formula C41H33BCl2F4N2, molecular weight 711.4, InChIKey ARGQPGULWAESKB-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
50
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
6
Ring count
8
Aromatic rings
6
Topological polar surface area
7.94 Ų
Computed LogP
11.97
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
Yes
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for synthetic chemistry workflows, boronic acid and ester chemistry, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
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 RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Shipment documentation review: By request