Research chemical

(S)-5-Benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate

CAS Number: 960254-94-8

Product details

Identity & specification

Molecular formula: C18H18BF4N3
Molecular weight: 363.16 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

146013765

Exact Mass

363.15299

InChIKey

BYNZPPBHTLSTBG-LMOVPXPDSA-N

IUPAC Name

(5S)-5-benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium tetrafluoroborate

SMILES String

F[B-](F)(F)F.[N+]1(C2=CC=CC=C2)=CN3C(CC[C@H]3CC4=CC=CC=C4)=N1

Physical Properties

Appearance

Powder or crystals

Physical State

powder or crystals or crystal

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

21.7 Å²

Computed LogP

4.19

Fragment-like structure rule

Lead-like structure rule

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

Research Catalog Compound - N-Heterocycle Ligand (CAS 960254-94-8) is listed for boronic acid or boronate building-block sourcing.

Sourcing context

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

Research use context

Typical research procurement context: organoboron reagent procurement for research screening, 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

Research intermediateCustom synthesis building blockCatalysts & ligands sourcingN-heterocycle ligand sourcingResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow

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 Request

Synonyms & references

Names & Synonyms

(S)-5-Benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-iumtetrafluoroborateC18H18BF4N3G71180(5S)-5-benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium;tetrafluoroborate

External Identifiers

MFCD32670863SY413533

Documentation & Compliance Facts

Compliance Facts

GHS pictograms

Hazard statements: H302, H315, H320, H335

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

Precautionary statements: P264, P270, P301+P312, P330

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

Show non-linked catalog cues

Non-public related references

3,8-Dibromo-1,10-phenanthrolineCAS 100125-12-0

6,6''-Dibromo-2,2':6',2''-terpyridineCAS 100366-66-3

(4S,4'S)-2,2'-(Cyclopropane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)CAS 1003886-01-8

(4S,4'S)-2,2'-(Cyclobutane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)CAS 1003886-03-0

(4S,4'S)-2,2'-(Cyclopentane-1,1-diyl)bis(4-benzyl-4,5-dihydrooxazole)CAS 1003886-05-2

Cross-selling keywords

N-heterocycle ligand sourcingRFQ documentation review

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

Procurement questions

What are the key identifiers for (S)-5-Benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate (CAS 960254-94-8)?

(S)-5-Benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate is identified by CAS 960254-94-8, with molecular formula C18H18BF4N3, molecular weight 363.16, InChIKey BYNZPPBHTLSTBG-LMOVPXPDSA-N.

Can I request a COA for CAS 960254-94-8?

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

Can I request supplier SDS for (S)-5-Benzyl-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-2-ium tetrafluoroborate?

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

Is CAS 960254-94-8 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.