Grundinformationen
- Standard-SMILES
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2ccccc21- InChIKey
DZNJMLVCIZGWSC-UHFFFAOYSA-N- Summenformel
- C28H30N2O3
- Durchschnittliche Molmasse
- 442,5 g/mol
- Monoisotopische Masse
- 442,22564282
Namen und Bezeichner
- Bevorzugter Name
- Solvent Red 49
- IUPAC
- 3',6'-bis(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
- Lokaler Name
- 3',6'-Bis(diethylamino)spiro-(isobenzofuran-1(3H),9'-(9H)xanthen)-3-on
- Englischer Name
- Solvent Red 49
- Summenformel
- C28H30N2O3
- Molmasse
- 442.55
Namen und Synonyme
Rhodamine B baseSolvent Red 49509-34-2C.I. Solvent Red 49Rhodamine B lactoneLacquer Pink SRhodamine S lactoneEljon Magenta TonerWaxoline Rhodamine BWaxoline Rhodamine BSAizen Rhodamine B BaseRhodamine B Base Extra
Weitere Namen anzeigen
Oil Pink BOil Red BNCI 45170.1CI 45170:1Basic Red 546SOLVENT RED BNElbasol Pink BVictosol Pink.
Rhodamine B Extra BaseRhodamine Base B ExtraDTXSID3041744KMK3588HIDRHODAMINE BASE BNSC-43944AIZEN SOT PINK 1Fluoran, 3',6'-bis(diethylamino)-
Datenbank-Bezeichner
- CAS
509-34-2- PubChem CID
- 62357
- DTXSID
DTXSID3041744- ChEMBL
CHEMBL3561678- UNII
- KMK3588HID
- EC Number
- 208-096-8
- Nikkaji
- J34.966F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,8
- Polarare Oberfläche (TPSA)
- 42 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 655
Experimentelle und physikochemische Eigenschaften
Collision Cross Section218.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041744]
Physikochemische Eigenschaften
- Siedepunkt
- 553.14 °C · 553.14°C (rough estimate)
- Dichte
- 1.1536 · 1.1536 (rough estimate)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.58 · 1.5800 (estimate)
- storage temp.
- room temp
- Löslichkeit
- 1 mg/mL · ethanol: 1mg/mL
- Aggregatzustand
- Fine Crystalline Powder
- pka
- 5.8 · 5.80±0.20(Predicted)
- Farbe
- Lilac
- Wasserlöslichkeit
- 4.83 g/L · 4.83g/L at 30℃
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/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
- InChIKey
- CVAVMIODJQHEEH-UHFFFAOYSA-N
- SMILES
- CCN(CC)c1ccc2c(OC3=CC(\C=CC3=C2c4ccccc4C([O-])=O)=[N+](\CC)CC)c1
- LogP
- 3.649 at · 3.649 at 25℃
- CAS Datenbank
- 509 · 509-34-2(CAS DataBase Reference)
- EPA chemische Informationen
- 49 · C.I. Solvent Red 49 (509-34-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 2.8% (11 of 397) of reports.
Danger
H302 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18971
Spiro[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
Other Safety InformationIMAP 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%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 32041300
- risk_code
- 22-37/38-41
- hazard_code
- Xn
- safety_code
- 26-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Solvent Red 49 in the following categories is provided:
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(diethylamino)-: ACTIVE
Anwendungen
VerwendenRhodamine 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
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