Basic information
- CAS
81-39-0- Standard SMILES
Cc1ccc(Nc2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1- InChIKey
VJUKWPOWHJITTP-UHFFFAOYSA-N- Molecular formula
- C24H18N2O2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.13682782
Names & identifiers
- Preferred name
- 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione
- IUPAC
- 14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dione
- English name
- Solvent Red 52
- Molecular formula
- C24H18N2O2
- Molecular weight
- 366.41
Names & synonyms
Solvent Red 523H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-DTXSID10588423-Methyl-6-(p-toluidino)-3H-dibenz(f,ij)isoquinoline-2,7-dione3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-3-Methyl-6-(p-toluidino)-3H-dibenz[F,IJ]isoquinoline-2,7-dione3H-Dibenz(f,ij)isoquinoline-2,7-dione, 3-methyl-6-((4-methylphenyl)amino)-3H-Naphtho(1,2,3-de)quinoline-2,7-dione, 3-methyl-6-((4-methylphenyl)amino)-RefChem:504035DTXCID00481893H-Naphtho1,2,3-dequinoline-2,7-dione, 3-methyl-6-(4-methylphenyl)amino-201-346-7
Show more names
Solvent red 52 (C.I. 68210)3-methyl-6-[(4-methylphenyl)amino]-3H-Dibenz[f,ij]isoquinoline-2,7-dioneC.I.68210abcol red 5bAmarsol Red 5BSOVLENT RED 52Keyplast Red 5BElbaplast Red 5B
81-39-03-Methyl-6-(p-toluidino)-3H-dibenz[f14-methyl-10-(4-methylanilino)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17)-heptaene-8,15-dioneMFCD002724163-methyl-6-(p-tolylamino)-2H-naphtho[1,2,3-de]quinoline-2,7(3H)-dioneSolven Red 52KP Plast Red 58EINECS 201-346-7
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Boiling point
- 585 · 585.0±50.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- vapor pressure
- 0 · 0-0Pa at 25℃
- solubility
- Chloroform (Slightly), Methanol (Slightly), Pyridine (Slightly)
- form
- Solid
- pka
- 0.46 · 0.46±0.20(Predicted)
- color
- Dark Purple to Black
- Water Solubility
- 750 · 750-2880900ng/L at 20-30℃
- InChI
- InChI=1S/C24H18N2O2/c1-14-7-9-15(10-8-14)25-19-11-12-20-22-18(13-21(27)26(20)2)16-5-3-4-6-17(16)24(28)23(19)22/h3-13,25H,1-2H3
- InChIKey
- VJUKWPOWHJITTP-UHFFFAOYSA-N
- SMILES
- N1(C)C2=C3C(C(=O)C4=C(C3=CC1=O)C=CC=C4)=C(NC1=CC=C(C)C=C1)C=C2
- LogP
- 4.506 · 4.506-4.8 at 25℃
- CAS DataBase Reference
- 81 · 81-39-0(CAS DataBase Reference)
- EPA Substance Registry System
- 3 H-Dibenz[f,ij]isoquinoline-2,7-dione, · 3H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]- (81-39-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (210 of 210) of all reports.
Not Classified
Aggregated GHS information provided per 210 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-
REACH registered substance: 3-methyl-6-(p-toluidino)-3H-dibenz[f,ij]isoquinoline-2,7-dione (EC: 201-346-7)
3H-Naphtho1,2,3-dequinoline-2,7-dione, 3-methyl-6-(4-methylphenyl)amino-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-: ACTIVE
Applications
UsesSolvent Red 52 is used in method for production of Poly(trimethylene furandicarboxylate) using Zinc catalyst.
Preparation methods
Preparation(a) 6-Bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione or 1-Bromo-4-(N-methylacetamido)anthraquinone and p-Methylaniline condensation; (b)N-(4-(p-toluidino)-9,10-dioxo-9,10-dihydroanthracen-1-yl)-N-methylacetamide closed loop into Anthrapyridone.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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