Research chemical

5,5-Difluoro-9-(2-methoxy-2-oxoethyl)-3,7-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide

CAS Number: 126250-45-1

Product details

Identity & specification

Molecular formula: C14H15BF2N2O2
Molecular weight: 292.09 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

14251408

Exact Mass

292.119464

InChIKey

CDAKNIWDOFVVOO-UHFFFAOYSA-N

IUPAC Name

methyl 2-(2,2-difluoro-4,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-6-yl)acetate

SMILES String

[B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)C)CC(=O)OC)C)(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

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

34.24 Å²

Computed LogP

2.13

Fragment-like structure rule

Yes

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

Transition metal motif

Phosphine ligand motif

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

5,5-Difluoro-9-(2-methoxy-2-oxoethyl)-3,7-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (CAS 126250-45-1) is listed in the Catalysts and Ligands portfolio, with molecular formula C14H15BF2N2O2 and molecular weight 292. 09 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for catalysis development, ligand screening, and synthetic method research; structure-derived tags include nitrogen-containing heterocycle, boronic-acid-related structure.

Documentation needs

SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.

Applications & Classification

Catalysis and Ligand ResearchResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

Safety & Handling

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

Reactivity.
Carbon monoxide, carbon dioxide, boron oxides, hydrogen fluoride, nitrogen oxides.

Disposal

Dispose of remaining and non-recyclable solutions to a licensed company.
Contact a professional institution with a waste disposal license to handle this substance.

Show additional safety reference fields

Fire Fighting

If necessary, wear a self-contained breathing apparatus for firefighting.

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

Synonyms & references

Names & Synonyms

Pyrromethene FLEverFluor FL acid

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

Hazard statements: H302, H315, H319, H335

Supplier SDS hazard code reference; confirm full text in supplier documentation.

Precautionary statements: P261, P305+P351+P338

Supplier SDS precautionary code reference; confirm full text in supplier documentation.

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

1We review the CAS identity, quantity, and documentation request.
2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
3We review destination and shipment documentation needs when applicable.
4We follow up with a quotation or clarification request.

Text Reference Cues

Additional text reference cues are not available for this catalog entry.

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

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

Procurement notes

Sourcing context and documentation notes

Show details

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Package and specification

Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.

Final lot confirmation

Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.

Supply documentation

Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.

Quotation review

Final quote depends on quantity, lead time, destination, and supplier confirmation.

Procurement questions

Is CAS 126250-45-1 in stock?

5,5-Difluoro-9-(2-methoxy-2-oxoethyl)-3,7-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.

How is the final price confirmed?

The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.

Can MolGraph provide COA or SDS for CAS 126250-45-1?

Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.