2,9-Dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisochinolin-1,3,8,10(2H,9H)-tetron
2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
Grundinformationen
- CAS
5521-31-3- Standard-SMILES
CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C)C5=O- InChIKey
PJQYNUFEEZFYIS-UHFFFAOYSA-N- Summenformel
- C26H14N2O4
- Durchschnittliche Molmasse
- 418,4 g/mol
- Monoisotopische Masse
- 418,09535693
Namen und Bezeichner
- Bevorzugter Name
- 2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
- IUPAC
- 7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
- Lokaler Name
- 2,9-Dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisochinolin-1,3,8,10(2H,9H)-tetron
- Englischer Name
- Pigment Red 179
- Summenformel
- C26H14N2O4
- Molmasse
- 418.4
Namen und Synonyme
2,9-Dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetroneAnthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-226-866-1RefChem:4465445521-31-3Perylene BordeauxPaliogen Maroon 3920C.I.Vat Red 23MePTCPalanthrene Red GG
Weitere Namen anzeigen
troneRed 179MePTCDIvatred23PTCDI-C1P-red 179Vat Red 2G
C.I. Vat Red 23Paliogen Maroon L 4020C.I. 71130UNII-2B7V5NT69Fn,n'-dimethyl-3,4,9,10-perylenetetracarboxylic diimide2,9-Dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone2B7V5NT69F7,18-dimethyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 74,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 789
Experimentelle und physikochemische Eigenschaften
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionCBI; Liquid
Physikochemische Eigenschaften
- Schmelzpunkt
- 400 °C · >400°C
- Siedepunkt
- 694.8 · 694.8±28.0 °C(Predicted)
- Dichte
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- -2.29 · -2.29±0.20(Predicted)
- Aggregatzustand
- powder
- Farbe
- Orange to Brown to Dark purple
- Wasserlöslichkeit
- 5.5 μg/L · 5.5μg/L at 23℃
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 39.5% (101 of 256) of reports.
Warning
H315 (16.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl- 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: 2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 226-866-1)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (16.4%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2925.19.4200
Chemie und Industrie
Verwendung und Herstellung
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesPigment
Industry UsesPigment
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
General Manufacturing Information
Plastics Product Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-: ACTIVE
Anwendungen
VerwendenMe-PTCDI can be used in the preparation of the hole transporting layers (HTLs), which can further be utilized in the fabrication of perovskite photovoltaic (PPV) cells.
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