Perylene-3,4-dicarboximide

Base Information

• Chemical Name: Perylene-3,4-dicarboximide
• CAS No.: 33955-44-1
• Molecular Formula: C₂₂H₁₁NO₂
• Molecular Weight: 321.335
• Hs Code.: 2933990090
• European Community (EC) Number: 608-929-9
• DSSTox Substance ID: DTXSID10471924
• Nikkaji Number: J663.753A
• Wikidata: Q82300623
• Mol file: 33955-44-1.mol

Synonyms:Perylene-3,4-dicarboximide;33955-44-1;1H-Perylo(3,4-cd)pyridine-1,3(2H)-dione;EC 608-929-9;16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione;SCHEMBL170580;DTXSID10471924;LBOJSACZVLWUHN-UHFFFAOYSA-N;NS00004698

Chemical Property of Perylene-3,4-dicarboximide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 645.324°C at 760 mmHg
• PKA: 9.73±0.20(Predicted)
• Flash Point: 254.968°C
• PSA: 49.66000
• Density: 1.5g/cm³
• LogP: 4.63120
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 321.078978594
• Heavy Atom Count: 25
• Complexity: 567

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C3C(=C1)C4=C5C(=CC=C6C5=C(C=C4)C(=O)NC6=O)C3=CC=C2

Technology Process of Perylene-3,4-dicarboximide

There total 3 articles about Perylene-3,4-dicarboximide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

perylene-3,4,9,10-tetracarboxylic-3,4-anhydride-9,10-carboxamide (33955-42-9) → perylene-3,4-dicarboximide (33955-44-1) + C44H18N2O4

Guidance literature:

With potassium hydroxide; at 290 - 350 ℃;

DOI:10.1016/0040-4039(95)01276-N

Reference yield:

→ perylene-3,4-dicarboximide (33955-44-1)

Guidance literature:

With potassium hydroxide; at 240 - 250 ℃;

Reference yield:

→ perylene-3,4-dicarboximide (33955-44-1)

Guidance literature:

Monoimid-monoanhydrid (1), 12percent-ig. wss. KOH, 240-250grad, 18 h;

upstream raw materials:

perylene-3,4,9,10-tetracarboxylic-3,4-anhydride-9,10-carboxamide