Research chemical

(5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride hydrate

CAS Number: 2829281-45-8

Product details

Identity & specification

Molecular formula: C21H24ClN3O2
Molecular weight: 385.88 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

54669739

Exact Mass

385.1557

InChIKey

DFFDIRURHBNRTR-UITHODHBSA-M

IUPAC Name

(1S,9R)-4-(2,4,6-trimethylphenyl)-8-oxa-4,5-diaza-2-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-2,5,11,13,15-pentaene;chloride;hydrate

SMILES String

CC1=C([N+]2=CN3[C@]4([H])[C@](OCC3=N2)(CC5=C4C=CC=C5)[H])C(C)=CC(C)=C1.[Cl-].O

Physical Properties

Appearance

White to off-white 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

H-bond acceptors

H-bond donors

Rotatable bonds

Ring count

Aromatic rings

Topological polar surface area

62.43 Å²

Computed LogP

-0.69

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

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 Available on Request (CAS 2829281-45-8) 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

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

Safety & Handling

Handling & Storage

Keep container tightly closed and dry.
Store in a well-ventilated place.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

Reactivity and stability.
Carbon monoxide, carbon dioxide, hydrogen chloride, nitrogen oxides.

Disposal

The remaining and non-recyclable solutions 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

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

(+)-(5ar,10bs)-5a,10b-dihydro-2-(2,4,6-trimethylphenyl)-4h,6h-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium chloride monohydrateE75679

External Identifiers

MFCD20265585starbld0022703AKOS015855107

Documentation & Compliance Facts

Compliance Facts

Signal word: Warning

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H315, H319, H335

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

Precautionary statements: P261, P280, P301+P312, P302+P352, 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

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 (5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride hydrate (CAS 2829281-45-8)?

(5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride hydrate is identified by CAS 2829281-45-8, with molecular formula C21H24ClN3O2, molecular weight 385.88, InChIKey DFFDIRURHBNRTR-UITHODHBSA-M.

Can I request a COA for CAS 2829281-45-8?

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

Can I request supplier SDS for (5aR,10bS)-2-Mesityl-4,5a,6,10b-tetrahydroindeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazin-2-ium chloride hydrate?

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

Is CAS 2829281-45-8 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.