3,4,9,10-Perylenetetracarboxylic diimide supplier

Name
3,4,9,10-Perylenetetracarboxylic diimide
EINECS 201-344-6
CAS No. 81-33-4
Article Data20
CAS DataBase
Density 1.68 g/cm³
Solubility Insoluble in water.
Melting Point
Formula C₂₄H₁₀N₂O₄
Boiling Point 821.4 °C at 760 mmHg
Molecular Weight 390.354
Flash Point 314 °C
Transport Information
Appearance Amaranthine uniform powder
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4,9,l0-Perylenetetracarboxylicdiimide;C.I. 71129;C.I. Pigment Brown 26;C.I. Pigment Violet 29;EuvinylMaroon 478;Lumogen Black FK 4281;NSC 16842;PTCDI;PV-Fast Bordeaux B;Paliogen Red Violet FM;Perrindo Violet 29V4050;Perrindo Violet V 4050;Perylimid;Pigment Violet 29;3,4,9,10-Perylenetetracarboxylic3,4:9,10-diimide (6CI,7CI,8CI);3,4,9,10-Perylenetetracarboxylic acid diimide;Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone;
PSA 99.86000
LogP 3.01620

3,4,9,10-Perylenetetracarboxylic diimide Specification

The systematic name of this chemical is isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone. With the CAS registry number 81-33-4, it is also named as 3,4,9,10-Perylenetetracarboxylic acid diimide. The product's categories are intermediates of dyes and pigments; organics; acid anhydrides, etc. (reagents for conducting polymer research); electroluminescence; fluorenes, etc. (reagent for high-performance polymer research); functional materials. The other registry number is 12236-71-4. Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone is amaranthine uniform powder which is used as important raw material in synthesis of Perylene dye and paint. And it is also used in metallic paint and polyester stoste coloring. In addition, people should not breathe dust and avoid contact with skin and eyes.

The other characteristics of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone can be summarized as: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.14; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.95; (8)ACD/KOC (pH 7.4): 19.11; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.955; (13)Molar Refractivity: 112.65 cm³; (14)Molar Volume: 232.3 cm³; (15)Polarizability: 44.65×10^-24 cm³; (16)Surface Tension: 96.3 dyne/cm; (17)Enthalpy of Vaporization: 119.39 kJ/mol; (18)Vapour Pressure: 4.28E-27 mmHg at 25°C; (19)Tautomer Count: 4; (20)Exact Mass: 390.064057; (21)MonoIsotopic Mass: 390.064057; (22)Topological Polar Surface Area: 92.3; (23)Heavy Atom Count: 30; (24)Complexity: 735.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C7c4c3c(ccc2c1ccc6c5c1c(c(c23)cc4)ccc5C(=O)NC6=O)C(=O)N7;
2. InChI:InChI=1/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30).

Product Name

3,4,9,10-Perylenetetracarboxylic diimide

3,4,9,10-Perylenetetracarboxylic diimide Specification

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