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Pyrrolo[3,4-c]pyrrole-1,4-dione,2,5-dihydro-3,6-diphenyl- (54660-00-3)

Identification
Name:Pyrrolo[3,4-c]pyrrole-1,4-dione,2,5-dihydro-3,6-diphenyl-
Synonyms:1,4-Diketo-3,6-diphenyl-pyrrolo-[3,4-c]-pyrrole;1,4-Diketo-3,6-diphenylpyrrolo[3,4-c]pyrrole;1,4-Dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole;2,5-Dihydro-3,6-diphenyl-1,4-diketopyrrolo[3,4-c]pyrrole;2,5-Dihydro-3,6-diphenylpyrrolo[3,4-c]pyrrole-1,4-dione;3,6-Diphenyl-1,4-diketopyrrolo[3,4-c]pyrrole;3,6-Diphenyl-1,4-pyrrolo[3,4-c]pyrroledione;3,6-Diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione;C.I. 561050;C.I. Pigment Red 255;Cromophtal Coral Red C;Irgazin DPP Red 5G;Irgazin DPP Scarlet EK;Irgazin Scarlet EK;PR 255;Pigment Red 255;
CAS:54660-00-3
Molecular Formula: C18H12N2O2
Molecular Weight: 0
InChI: InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,22)(H,20,21)
Molecular Structure: (C18H12N2O2) 1,4-Diketo-3,6-diphenyl-pyrrolo-[3,4-c]-pyrrole;1,4-Diketo-3,6-diphenylpyrrolo[3,4-c]pyrrole;1,4-Dio...
Properties
Density:1.39 g/cm3
Appearance:red powder
Specification:

The IUPAC name of Pigment Red 255 is 1,4-diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione. With the CAS registry number 54660-00-3, it is also named as Pyrrolo(3,4-c)pyrrole-1,4-dione, 2,5-dihydro-3,6-diphenyl-. Classification Code about this chemical is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. 120500-90-5 and 790240-37-8 are two other registry number about this chemical. It is red powder with excellent light, heat and solvent resistance. As its usage, Pigment Red 255 is mainly used in paints, plastics and paint coloring. And it is also used for coloring synthetic fibre stoste.

Following are the chemical properties about Pigment Red 255: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.56; (5)ACD/BCF (pH 5.5): 308.14; (6)ACD/BCF (pH 7.4): 294.2; (7)ACD/KOC (pH 5.5): 2103.68; (8)ACD/KOC (pH 7.4): 2008.49; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.721; (13)Molar Refractivity: 81.6 cm3; (14)Molar Volume: 206.2 cm3; (15)Polarizability: 32.35×10-24 cm3; (16)Surface Tension: 65.1 dyne/cm; (17)Enthalpy of Vaporization: 94.9 kJ/mol; (18)Vapour Pressure: 1.98E-16 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 8; (21)Exact Mass: 288.089878; (22)MonoIsotopic Mass: 288.089878; (23)Topological Polar Surface Area: 58.2; (24)Heavy Atom Count: 22; (25)Complexity: 524.

This chemical can be described computed from structure:
1. SMILES:O=C2C=3/C(=C(/c1ccccc1)N2)/C(=O)NC=3c4ccccc4;
2. InChI: InChI=1/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,22)(H,20,21).

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