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Research chemical

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

CAS Number: 100012-45-1

Chemical structure
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 molecular structure, CAS 100012-45-1

Product details

Identity & specification

Molecular formula
C41H33BCl2F4N2
Molecular weight
711.4 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

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

Physical Properties

No physical property values available.

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

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.

Catalog Facts

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.

Applications & Classification

Synthetic ChemistryBoronic Acids and EstersResearch Chemical SourcingResearch intermediateCustom synthesis building blockCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

Handling & Storage

  • Store in a well-ventilated area.

First Aid

  • Do not give anything to an unconscious person.
  • Rinse mouth with water.

Stability / Reactivity

  • and reaction activity.
  • carbon monoxide, carbon dioxide, boron oxides, hydrogen chloride, hydrogen fluoride, nitrogen oxides.

Disposal

  • The remaining and non-recyclable solution should be handed over to a licensed company for disposal.
  • Contact a professional institution with a waste disposal license to handle this substance.
Show additional safety reference fields

Fire Fighting

  • Use self-contained breathing apparatus if necessary.

Accidental Release

  • Do not generate dust when collecting and disposing.
  • Sweep and shovel up.

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 Request

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamateView related compound →Structure similarityDibenzyl 4-[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-YL]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylateView related compound →Structure similarity3,6-bis(5-bromothiophen-2-yl)-2,5-bis(2-ethylhexyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dioneView related compound →Structure similarity1,1'-Bi-1H-imidazole, 2,2',4-tris(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-4',5'-diphenyl-View related compound →Structure similarity2,4-Dibromo-6-[[[[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl][(S)-1-phenylethyl]amino]methyl]phenolView related compound →

Procurement questions

What are the key identifiers for 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 (CAS 100012-45-1)?

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.

Can I request a COA for CAS 100012-45-1?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for 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?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 100012-45-1 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.