1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid)

Basic Information

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CAS Number

128-69-8

Molecular Formula

C48H22O15

Molecular Weight

838.69 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

>300 °C

Boiling Point

755.8±33.0°C at 760 mmHg

Flash Point

329.9 °C

Solubility

0.87g/l

Refractive Index

1.5200 (estimate)

SMILES

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c1cc2cccc3c2c(c1)c4ccc(c5c4c3c(c(c5C(=O)O)C(=O)O)C(=O)OC(=O)c6c7c8cccc9c8c(ccc9)c1c7c(c(cc1)C(=O)O)c(c6C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C48H22O15/c49-41(50)25-15-13-21-19-9-1-5-17-7-3-11-23(27(17)19)31-29(21)33(25)35(43(53)54)37(45(57)58)39(31)47(61)63-48(62)40-32-24-12-4-8-18-6-2-10-20(28(18)24)22-14-16-26(42(51)52)34(30(22)32)36(44(55)56)38(40)46(59)60/h1-16H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChIKey

BVTFXNVEBOOFNJ-UHFFFAOYSA-N

LogP

8.974200000000005

Topological Polar Surface Area

267.16999999999996 Å²

Hydrogen Bond Donor/Acceptor

6 / 15

Complexity

730

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

Moisture Sensitive

Synonyms & References

English

3,4,9,10-Perylenetetracarboxylic dianhydride
PERYLENETETRACARBOXYLIC ACID(-3,4,9,10)-DIANHYDRIDE
3,4,9,10-Perylenetetracarboxylic Dianhydride (purified by sublimation)
Perylene-3,4,9,10-tetracarboxylic dianhydride
3,4,9,10-perylene dianhydride
3,4,9,10-Perylenetet
C.I.Pigment Red 224
LT-S920
Per acid
perylene-3,4,9,10-tetracarboxylic acid dianhydride
perylene-3,4:9,10-tetracarboxylic dianhydride
Perylenetetracarboxydianhydride
PIGMENT RED 224
Pigment Red 224,PTCDA
PTCDA
Red R-6418
Pigment Red 224 (purified by sublimation)
C.I.71127
Red R-6418
Pigment Red 224, PTCDA
Pigment Red 224

MDL Number

MFCD00006916

Customs Code

29173980

FAQ

What is 1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid) (CAS: 128-69-8)?

1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid), with the CAS number 128-69-8, is a synthetic organic compound that belongs to the class of perylene derivatives. It is characterized by its complex molecular structure, containing two perylenetricarboxylic acid units linked by an oxydicarbonyl bridge. This compound is known for its high molecular weight and potential applications in advanced materials and chemical research due to its unique optical and electronic properties.

What are the main uses of 1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid) (CAS: 128-69-8)?

1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid) is primarily used in the development of organic semiconductors and as a precursor in the synthesis of various functional materials. It also finds applications in pharmaceutical research, particularly in the design of compounds with photophysical properties. Due to its chemical versatility, it is used in industrial processes and as a research reagent in the study of molecular interactions and material science.

Is 1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid) (CAS: 128-69-8) safe?

1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid) is generally considered safe when handled properly, but it requires caution due to its potential to cause skin and eye irritation. It is recommended to use appropriate personal protective equipment (PPE) such as gloves and safety goggles during handling. Safety standards for this compound are typically outlined in chemical safety data sheets (SDS) and should be followed to ensure safe usage in laboratories and industrial settings.

How should 1,1'-(Oxydicarbonyl)di(2,3,4-perylenetricarboxylic acid) (CAS: 128-69-8) be stored?

This compound should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed container made of inert material such as glass or high-density polyethylene (HDPE) to prevent moisture absorption and contamination. Storage conditions should maintain a temperature below 25°C and humidity levels below 60% to ensure stability and prevent degradation of the compound.