Research chemical

9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , Rhodamine B

CAS Number: 81-88-9

Product details

Identity & specification

Molecular formula: C28H31ClN2O3
Molecular weight: 479.01 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

6694

Exact Mass

478.20232

InChIKey

PYWVYCXTNDRMGF-UHFFFAOYSA-N

IUPAC Name

[9-(2-carboxyphenyl)-6-(diethylamino)xanthen-3-ylidene]-diethylazanium chloride

SMILES String

CCN(C1=CC2=[O+]C3=C(C=CC(N(CC)CC)=C3)C(C4=CC=CC=C4C(O)=O)=C2C=C1)CC.[Cl-]

Physical Properties

Appearance

Faint green to very dark green to brown Powder

Physical State

powder

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

56.69 Å²

Computed LogP

2.56

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 - N-Heterocycle Ligand (CAS 81-88-9) 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

Including any incompatibility.
Close tightly.
Store in a well-ventilated area.

PPE

Respiratory protection if needed

First Aid

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

Stability / Reactivity

Reactivity and stability.

Disposal

The remaining product 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

RHODAMINE BBasic Violet 10Brilliant Pink BTetraethylrhodamineRhodamine B chloride

Show all synonyms

Calcozine Red BXSymulex Magenta F

External Identifiers

EC NUMBER: 201-383-9DSSTOX SUBSTANCE ID: DTXSID6042369CHEMBL ID: CHEMBL428971CHEMBL ID: CHEMBL551133CHEBI ID: CHEBI:52334UNII: K7G5SCF8ILDRUGBANK ID: DB16853KEGG ID: C19517NCI THESAURUS CODE: C71656NCI THESAURUS CODE: C806

Experimental Spectrum References

13C NMR Spectra 1H NMR Spectra ATR-IR Spectra — Bio-Rad Laboratories, Inc.FTIR Spectra

Literature & Patent References

DOI 10.1016/j.ejmech.2023.115189Asiatic acid as a leading structure for derivatives combining sub-nanomolar cytotoxicity, high selectivity, and the ability to overcome drug resistance in human preclinical tumor models.DOI 10.1016/j.ejmech.2023.115705Antiproliferative activity of meso-substituted BODIPY photocages: Effect of electrophiles vs singlet oxygen.DOI 10.1021/acs.jmedchem.3c01068Benzamidine Conjugation Converts Expelled Potential Active Agents into Antifungals against Drug-Resistant Fungi.PMID 36780832Asiatic acid as a leading structure for derivatives combining sub-nanomolar cytotoxicity, high selectivity, and the ability to overcome drug resistance in human preclinical tumor models.PMID 37544182Antiproliferative activity of meso-substituted BODIPY photocages: Effect of electrophiles vs singlet oxygen.PMID 37787457Benzamidine Conjugation Converts Expelled Potential Active Agents into Antifungals against Drug-Resistant Fungi.DOI 10.1016/j.ejmech.2020.112920Cytotoxic triterpenoid-safirinium conjugates target the endoplasmic reticulum.DOI 10.1021/acs.jmedchem.1c01647Discovery of Novel TRPM8 Blockers Suitable for the Treatment of Somatic and Ocular Painful Conditions: A Journey through p<i>K</i><sub>a</sub> and LogD Modulation.

Documentation & Compliance Facts

Compliance Facts

Signal word: Danger

Supplier SDS reference cue; confirm supplier documentation before use.

GHS pictograms

Hazard statements: H302, H318, H412

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

Precautionary statements: P264, P270, P280, P305+P351, P310, P330, P338, P403, P501

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 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , Rhodamine B (CAS 81-88-9)?

9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , Rhodamine B is identified by CAS 81-88-9, with molecular formula C28H31ClN2O3, molecular weight 479.01, InChIKey PYWVYCXTNDRMGF-UHFFFAOYSA-N.

Can I request a COA for CAS 81-88-9?

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

Can I request supplier SDS for 9-(2-Carboxyphenyl)-3,6-bis(diethylamino)xanthylium chloride , Rhodamine B?

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

Is CAS 81-88-9 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.