1,4-Bis(mesitylamino)anthraquinone
Grundinformationen
- CAS
116-75-6- Standard-SMILES
Cc1cc(C)c(Nc2ccc(Nc3c(C)cc(C)cc3C)c3c2C(=O)c2ccccc2C3=O)c(C)c1- InChIKey
DMDRBXCDTZRMHZ-UHFFFAOYSA-N- Summenformel
- C32H30N2O2
- Durchschnittliche Molmasse
- 474,6 g/mol
- Monoisotopische Masse
- 474,2307282
Namen und Bezeichner
- Bevorzugter Name
- 1,4-Bis(mesitylamino)anthraquinone
- IUPAC
- 1,4-bis(2,4,6-trimethylanilino)anthracene-9,10-dione
- Englischer Name
- Solvent Blue 104
- Summenformel
- C32H30N2O2
- Molmasse
- 474.59
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
116-75-6- PubChem CID
- 61042
- DTXSID
DTXSID3051593- UNII
- Z54546JQXT
- EC Number
- 204-155-7
- Nikkaji
- J33.355G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 9,2
- Polarare Oberfläche (TPSA)
- 58,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 722
Experimentelle und physikochemische Eigenschaften
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physikochemische Eigenschaften
- Schmelzpunkt
- 236.5 · 236.5-237.5 °C
- Siedepunkt
- 639.5 · 639.5±55.0 °C(Predicted)
- Dichte
- 1.22 · 1.220±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 · 0-0.001Pa at 20-25℃
- storage temp.
- Refrigerator, under inert atmosphere
- Löslichkeit
- Chloroform (Slightly)
- pka
- -0.26 · -0.26±0.20(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Very Dark Blue to Black
- InChI
- InChI=1S/C32H30N2O2/c1-17-13-19(3)29(20(4)14-17)33-25-11-12-26(34-30-21(5)15-18(2)16-22(30)6)28-27(25)31(35)23-9-7-8-10-24(23)32(28)36/h7-16,33-34H,1-6H3
- InChIKey
- DMDRBXCDTZRMHZ-UHFFFAOYSA-N
- SMILES
- C1(NC2=C(C)C=C(C)C=C2C)=C2C(C(=O)C3=C(C2=O)C=CC=C3)=C(NC2=C(C)C=C(C)C=C2C)C=C1
- CAS Datenbank
- 116 · 116-75-6(CAS DataBase Reference)
- EPA chemische Informationen
- 104 · C.I. Solvent Blue 104 (116-75-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2417 of 2417) of all reports.
Not Classified
Aggregated GHS information provided per 2417 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]-
9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]- 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)
REACH registered substance: 1,4-bis(mesitylamino)anthraquinone (EC: 204-155-7)
9,10-Anthracenedione, 1,4-bis(2,4,6-trimethylphenyl)amino-: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
Use Classification
EPA Safer Chemical Functional Use Classes -> Colorants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
General Manufacturing Information
Plastics Material and Resin Manufacturing
9,10-Anthracenedione, 1,4-bis[(2,4,6-trimethylphenyl)amino]-: ACTIVE
Darstellung
synthetische1,4-Dihydroxyanthracene-9,10-dione and 2,4,6-Trimethylbenzenamine (2 Moore) condensation.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter100 Anbieter
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