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Pigment Red 179
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Name

Pigment Red 179

 EINECS 226-866-1
CAS No. 5521-31-3 Density 1.594 g/cm3
PSA 78.14000 LogP 3.03700
Solubility 5.5μg/L at 23℃ Melting Point >400°C
Formula C26H14N2O4 Boiling Point 694.846 °C at 760 mmHg
Molecular Weight 418.408 Flash Point 341.089 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 5521-31-3 (Pigment Red 179) Hazard Symbols Xi
Synonyms

3,4,9,10-Perylenetetracarboxylic3,4:9,10-diimide, N,N'-dimethyl- (7CI,8CI);2,9-Dimethylantra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetrone;3,4,9,10-Perylenetetracarboxylic 3,4:9,10-bis(N-methylimide);N,N'-Dimethyl-3,4,9,10-perylenetetracarboximide;N,N'-Dimethyl-3,4,9,10-perylenetetracarboxylic diimide;N,N'-Dimethylperylene-3,4,9,10-dicarboximide;N,N'-Dimethylperylene-3,4,9,10-tetracarboxylic 3,4:9,10-diimide;N,N'-Dimethylperylene-3,4,9,10-tetracarboxylic acid diimide;N,N'-Dimethylperylene-3,4:9,10-bis(dicarboximide);N,N'-Dimethylperylenetetracarboxylic bisimide;N-Methyl-3,4,9,10-perylenetetracarboxyldiimide;Perrindo Maroon179R6436-229-6436;Perylene 3,4,9,10-tetracarboxylic acid bis(methylimide);

Article Data 12

Pigment Red 179 Specification

The Pigment Red 179, with the CAS registry number 5521-31-3, is also known as C.I. 71130. It belongs to the product categories of Organics. Its EINECS registry number is 226-866-1. This chemical's molecular formula is C26H14N2O4 and molecular weight is 418.40. What's more, its systematic name is called 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone.

Physical properties about Pigment Red 179 are: (1)ACD/LogP: 2.633; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.63; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 59.02; (6)ACD/BCF (pH 7.4): 59.02; (7)ACD/KOC (pH 5.5): 644.62; (8)ACD/KOC (pH 7.4): 644.62; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.905; (14)Molar Refractivity: 122.503 cm3; (15)Molar Volume: 262.375 cm3; (16)Polarizability: 48.564×10-24 cm3; (17)Surface Tension: 88.27 dyne/cm; (18)Density: 1.595 g/cm3; (19)Flash Point: 341.089 °C; (20)Enthalpy of Vaporization: 101.78 kJ/mol; (21)Boiling Point: 694.846 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Pigment Red 179: this chemical can be prepared by perylene-3,4,9,10-tetracarboxylic acid-3,4;9,10-dianhydride with methylamine. The reaction occurs with reagent H2O and other condition of heating for 3 hours. The yield is 98 %.

Pigment Red 179 can be prepared by perylene-3,4,9,10-tetracarboxylic acid-3,4;9,10-dianhydride with methylamine.

Uses of Pigment Red 179: it is used to produce other chemicals. For example, it can produce 2-methyl-1,3-dioxo-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isoquinoline-8,9-dicarboxylic acid anhydride. This reaction needs reagent sulfuric acid at temperature of 180 °C. The reaction time is 270 min. The yield is 31 %.

Pigment Red 179 can produce 2-methyl-1,3-dioxo-2,3-dihydro-1H-benzo[5,10]anthra[2,1,9-def]isoquinoline-8,9-dicarboxylic acid anhydride.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C7c4c3c(ccc2c1ccc6c5c1c(c(c23)cc4)ccc5C(=O)N(C6=O)C)C(=O)N7C
(2) InChI: InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3
(3) InChIKey: PJQYNUFEEZFYIS-UHFFFAOYSA-N

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