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HCID 62357Erstellt: 26. Oktober 2026

3',6'-Bis(diethylamino)spiro-(isobenzofuran-1(3H),9'-(9H)xanthen)-3-on

RHODAMINE B BASE · Oil Pink B · Oil Red BN · CI 45170.1 · CI 45170:1 · Basic Red 546 · SOLVENT RED BN · Elbasol Pink B

https://huagongshe.com/de/chemical/62357

Molekülstruktur von 3',6'-Bis(diethylamino)spiro-(isobenzofuran-1(3H),9'-(9H)xanthen)-3-on

Identifikatoren & physikalische Daten

CAS No.509-34-2
SummenformelC28H30N2O3
Durchschnittliche Molmasse442,5 g/mol
Monoisotopische Masse442,22564282 g/mol
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21
InChIKeyDZNJMLVCIZGWSC-UHFFFAOYSA-N
PubChem CID62357
ChEMBLCHEMBL3561678
EC No.208-096-8
DTXSIDDTXSID3041744
Lokaler Name3',6'-Bis(diethylamino)spiro-(isobenzofuran-1(3H),9'-(9H)xanthen)-3-on

Chemische & physikalische Eigenschaften

XLogP5,8
Polarare Oberfläche (TPSA)42
H-Brücken-Donoren0
H-Brücken-Akzeptoren5
Frei drehbare Bindungen6
Schwere Atome33
Formalladung0
Komplexität655
Collision Cross Section218.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3041744]
Siedepunkt553.14°C (rough estimate)
Dichte1.1536 (rough estimate)
Dampfdruck0Pa at 25℃
Brechungsindex1.5800 (estimate)
Lagerbedingungenroom temp
Löslichkeitethanol: 1mg/mL4.83g/L at 30℃
AggregatzustandFine Crystalline Powder
pKa (Säurekonstante)5.80±0.20(Predicted)
FarbeLilac
Hauptanwendungendiagnostic assay manufacturinghematologyhistology
InChI1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3
InChIKeyCVAVMIODJQHEEH-UHFFFAOYSA-N
SMILESCCN(CC)c1ccc2c(OC3=CC(\C=CC3=C2c4ccccc4C([O-])=O)=[N+](\CC)CC)c1
LogP (Verteilungskoeffizient)3.649 at 25℃
CAS Datenbank509-34-2(CAS DataBase Reference)
EPA chemische InformationenC.I. Solvent Red 49 (509-34-2)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 2.8% (11 of 397) of reports.DangerH302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 397 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-Hazard Traits - BioaccumulationEnvironmental PersistenceStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18971Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: Does not have an individual approval but may be used under an appropriate group standard
Weitere SicherheitsinformationenIMAP assessments - Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (97%)
Wassergefährdungsklasse (WGK)3
TSCA-Inventar-StatusTSCA listed
Zollcode32041300
R-Sätze (R)22-37/38-41
GefahrensymboleXn
Sicherheitshinweise (S)26-36/37
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

Rhodamine B base is a fluorescent biological staining dye. Rhodamine B base is also used as a laser dye, tunable around 610 nm with the fluorescence yield being temperature dependent. Dyes and metabolites, Environmental Testing