Dinatrium-[29H,31H-phthalocyanindisulfonato(4-)-N29,N30,N31,N32]cuprat(2-)
Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:2)
Grundinformationen
- CAS
1330-38-7- Standard-SMILES
O=S(=O)([O-])c1cccc2c1-c1nc-2nc2[n-]c(nc3nc(nc4[n-]c(n1)c1ccccc41)-c1ccccc1-3)c1c(S(=O)(=O)[O-])cccc21.[Cu+2].[Na+].[Na+]- InChIKey
DKBXPLYSDKSFEQ-UHFFFAOYSA-L- Summenformel
- C32H14CuN8O6S2.2Na
- Durchschnittliche Molmasse
- 780,2 g/mol
- Monoisotopische Masse
- 778,956908
Überblick
See also: disulfo copper phthalocyanine amine salt (annotation moved to).
Namen und Bezeichner
- Bevorzugter Name
- Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:2)
- IUPAC
- copper;disodium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene-5,17-disulfonate
- Lokaler Name
- Dinatrium-[29H,31H-phthalocyanindisulfonato(4-)-N29,N30,N31,N32]cuprat(2-)
- Englischer Name
- Direct Blue 86
- Summenformel
- C32H14CuN8Na2O6S2
- Molmasse
- 780.16
Namen und Synonyme
Disodium (29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32)cuprate(2-)Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32]-, sodium (1:2)Disodium [29H,31H-phthalocyaninedisulphonato(4-)-N29,N30,N31,N32]cuprate(2-)Cuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, disodiumCuprate(2-), (29H,31H-phthalocyanine-C,C-disulfonato(4-)-kappaN29,kappaN30,kappaN31,kappaN32)-, sodium (1:2)RefChem:579615215-537-837279-62-2609-380-8Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, disodiumCuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, sodium (1:2)solvent blue 38
Weitere Namen anzeigen
GLC(C.I.20415acidblue87C.I. 74180
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 211 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 51
- Formalladung
- 0
- Komplexität
- 1.300
Experimentelle und physikochemische Eigenschaften
CosmeticsCosmetic colorant; Hair dyeing
Physical DescriptionDry Powder
Physikochemische Eigenschaften
- Wasserlöslichkeit
- Soluble in water
- Aggregatzustand
- powder to crystal
- Farbe
- Dark red to Dark purple to Dark blue
- Stabilität
- Stable. Incompatible with strong oxidizing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- COLORANTHAIR DYEING
- EPA chemische Informationen
- 86 · C.I. Direct Blue 86 (1330-38-7)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.5% (2269 of 2281) of all reports.
Not Classified
Aggregated GHS information provided per 2281 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, sodium (1:2)
Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, sodium (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, sodium (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, disodium: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- tsca
- TSCA listed
- hs_code
- 32041400
- RTECS-Nr.
- GS2169225
- Toxizität
- rat,LD50,intraperitoneal,800mg/kg (800mg/kg),Current Toxicology. Vol. 1, Pg. 243, 1993.
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Consumer UsesDye
Industry UsesDye
Use ClassificationCosmetics -> Cosmetic colorant; Hair dyeing
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
Cuprate(2-), [29H,31H-phthalocyanine-C,C-disulfonato(4-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, sodium (1:2): ACTIVE
Anwendungen
VerwendenDirect Blue 86 (CAS# 1330-38-7) is an organometallic dye used frequently with cellulose fibers. Direct Blue 86 has antibacterial properties, particularly towards E. Coli.Dyes and metabolites, Environmental Testing
Darstellung
synthetischeo-Chloroaniline diazo, and 4-Amino-5-hydroxynaphthalene-2,7-disulfonic acidin acid conditions coupled, then and diazo neighborhood M-chloroaniline in alkaline conditions coupled.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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