2-(3,6-Dihydroxy-2,4,5,7-tetrabromxanthen-9-yl)-benzoesure
2',4',5',7'-Tetrabromofluorescein
Grundinformationen
- CAS
15086-94-9- Standard-SMILES
O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br- InChIKey
DBZJJPROPLPMSN-UHFFFAOYSA-N- Summenformel
- C20H8Br4O5
- Durchschnittliche Molmasse
- 647,9 g/mol
- Monoisotopische Masse
- 643,71052176
Überblick
Bromoeosin is an organobromine compound. It is functionally related to a fluorescein (lactone form).
Namen und Bezeichner
- Bevorzugter Name
- 2',4',5',7'-Tetrabromofluorescein
- IUPAC
- 2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
- Lokaler Name
- 2-(3,6-Dihydroxy-2,4,5,7-tetrabromxanthen-9-yl)-benzoesure
- Englischer Name
- Solvent Red 43
- Summenformel
- C20H8Br4O5
- Molmasse
- 647.89
Namen und Synonyme
15086-94-92',4',5',7'-TetrabromofluoresceinC.I. Solvent Red 43DTXSID3044590C.I. 45380:23,6-Dihydroxy-2,4,5,7-tetrabromospiro(xanthene-9,3'-phthalide)CI 45380:2NSC-2444362',4',5',7'-tetrabromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-DTXCID10245902',4',5',7'-tetrabromo-3',6'-dihydroxy-3H-spiro[2-benzofuran-1,9'-xanthen]-3-one
Weitere Namen anzeigen
EOSIN YSolvent RedEOSIN Y DISODIUM SALTEOSINERED 21EOSINE YField stain BAKA223BROMOFLUORESCEINEOSIN Y TS
Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-2',4',5',7'-TETRABROMO-3',6'-DIHYDROXY-3H-SPIRO(2-BENZOFURAN-1,9'-XANTHEN)-3-ONE2',4',5',7'-tetrabromo-3',6'-dihydroxyspiro(2-benzofuran-3,9'-xanthene)-1-oneRefChem:1058590CHEBI:86277Solvent Red 43BromoeosinBromeosin
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,2
- Polarare Oberfläche (TPSA)
- 76 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 645
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetics ingredient -> Colorant
Hair dyeing
Food AdditivesDrugs, Cosmetics -> FDA Regulatory Status of Color Additives
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section204.7 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3044590]
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · 300 °C
- Siedepunkt
- 640.3 · 640.3±55.0 °C(Predicted)
- Dichte
- 1.02 g/mL · 1.02 g/mL at 20 °C
- Brechungsindex
- 1.5 · 1.5000 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 2 O: · H2O: 0.1 g/mL, dark red
- Aggregatzustand
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 74.5% (123 of 165) of all reports.
Warning
H302 (24.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
Status: Active Update: 15-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/5975
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (24.2%)
Toxikologische Informationen
Carcinogen Classification
Eosin
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 15: (1977) Some Fumigants, the Herbicides 2,4-D and 2,4,5-T, Chlorinated Dibenzodioxins and Miscellaneous Industrial Chemicals
1987
1987
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1170 3/PG 2
- hs_code
- 32041919
- RTECS-Nr.
Chemie und Industrie
Verwendung und Herstellung
Household Products
Cosmetics product ingredient: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-(and related compounds) (Red 21; Solvent red 43; Aka223)
Information on 4 consumer products that contain D & C Red no. 21 in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing InformationSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2',4',5',7'-tetrabromo-3',6'-dihydroxy-: ACTIVE
Anwendungen
VerwendenEosin Acid C.I. No. 45380 (CAS# 15086-94-9) is a photo-senseitive organic catalyst and has been used in the photocatalytic, diastereoselective additions of 1-sulfoximidoyl-1,2-benziodoxoles to styrenes, and in the stereoselective synthesis of 2-deoxyglycosides from glycals. Dyes and metabolites.
Darstellung
synthetischeFluorescein (C.I. Acid Yellow 73, C.I. 45350) in water or ethanol solution bromide into four bromine derivatives, And made into a free acid form..
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