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| CAS No.: | 24108-89-2 |
|---|---|
| Name: | Pigment Red 123 |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C40H26N2O6 |
| Molecular Weight: | 630.656 |
| Synonyms: | 3,4,9,10-Perylenetetracarboxylic3,4:9,10-diimide, N,N'-bis(p-ethoxyphenyl)- (8CI);3,4,9,10-Perylenetetracarboxylic bis[(p-ethoxyphenyl)imide];Indo Brilliant Scarlet;Indo Brilliant Scarlet Toner;Indofast BrilliantScarlet R 6300;Indofast Brilliant Scarlet R 6335;N,N'-Bis(4-ethoxyphenyl)-3,4,9,10-perylenetetracarboxylicdiimide;N,N'-Bis(p-ethoxyphenyl)perylene-3,4,9,10-tetracarboxylic3,4:9,10-diimide;Paliogen Red 3870;Paliogen Red K 3871;Paliogen Red L 3870;Paliogen Red L 3870HD;Perylene Red Toner;Sumitone Fast BrilliantRed 2B; |
| EINECS: | 246-018-4 |
| Density: | 1.461 g/cm3 |
| PSA: | 96.60000 |
| LogP: | 6.73880 |
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- 852475-26-4MC1568
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Specification
The Pigment Red 123, with the CAS registry number 24108-89-2, is also known as Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(4-ethoxyphenyl)-. It belongs to the product category of Organics. Its EINECS registry number is 246-018-4. This chemical's molecular formula is C40H26N2O6 and molecular weight is 630.65. What's more, its systematic name is called 2,9-Bis(4-ethoxyphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone. It is used for ethylene and polyethylene plastics, acetate fibers puree color, fabric dyeing, such as ethylene and acrylic paint.
Physical properties about Pigment Red 123 are: (1)ACD/LogP: 6.769; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.76; (4)ACD/LogD (pH 7.4): 6.77; (5)ACD/BCF (pH 5.5): 81150.52; (6)ACD/BCF (pH 7.4): 82048.04; (7)ACD/KOC (pH 5.5): 113311.90; (8)ACD/KOC (pH 7.4): 114565.10; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 93.22 Å2; (13)Index of Refraction: 1.8; (14)Molar Refractivity: 184.598 cm3; (15)Molar Volume: 431.778 cm3; (16)Polarizability: 73.18×10-24cm3; (17)Surface Tension: 74.647 dyne/cm; (18)Density: 1.461 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C9c4c3c(ccc2c1ccc7c5c1c(c(c23)cc4)ccc5C(=O)N(c6ccc(OCC)cc6)C7=O)C(=O)N9c8ccc(OCC)cc8
(2) InChI: InChI=1S/C40H26N2O6/c1-3-47-23-9-5-21(6-10-23)41-37(43)29-17-13-25-27-15-19-31-36-32(40(46)42(39(31)45)22-7-11-24(12-8-22)48-4-2)20-16-28(34(27)36)26-14-18-30(38(41)44)35(29)33(25)26/h5-20H,3-4H2,1-2H3
(3) InChIKey: SUAFEKASGNVLFQ-UHFFFAOYSA-N