Diisobutyl 3,9-perylenedicarboxylate

Basic Information

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CAS Number

2744-50-5

Molecular Formula

C30H28O4

Molecular Weight

452.55 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

Boiling Point

614.3°C at 760 mmHg

Density

1.217

Flash Point

311.5 ºC

Refractive Index

1.686

SMILES

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CC(C)COC(=O)C1=CC=C2C3=C4C(=CC=C3)C(=CC=C4C5=C2C1=CC=C5)C(=O)OCC(C)C

InChI

InChI=1S/C30H28O4/c1-17(2)15-33-29(31)25-13-11-23-20-8-6-10-22-26(30(32)34-16-18(3)4)14-12-24(28(20)22)19-7-5-9-21(25)27(19)23/h5-14,17-18H,15-16H2,1-4H3

InChIKey

YLNJGHNUXCVDIX-UHFFFAOYSA-N

LogP

7.362800000000006

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

682

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

3,9-Perylenedicarboxylic acid diisobutyl ester
FT-0614791
A913291
EINECS 220-379-8
3,9-Perylenedicarboxylic acid, 3,9-bis(2-methylpropyl) ester
SY116200
3,9-Perylenedicarboxylic acid, bis(2-methylpropyl) ester
CS-0010275
Diisobutyl 3,9-perylenedicarboxylate
Diisobutyl Perylenedicarboxylate (mixture of regio-isomers)
W-109820
YLNJGHNUXCVDIX-UHFFFAOYSA-N
bis(2-methylpropyl) perylene-3,9-dicarboxylate
NS00019715
DS-5081
SCHEMBL898919
O11723
AKOS015901244
Solvent Green 5
Perylenedicarboxylicaciddiisobutylester
diisobutyl perylene-3,9-dicarboxylate
MFCD00191681
DTXSID1062621
2744-50-5
Diisobutyl perylene-3,9-dicarboxylate
C.I. SOLVENT GREEN 5
Diisobutyl Perylenedicarboxylate
Diisobutyl Perylenedicarboxylate (mixture of regioisomers)
isobutyl 3,9-perylenedicarboxylate
Perylen-3,9-dicarbonsaeure-diisobutylester
perylene-3,9-dicarboxylic acid diisobutyl ester

MDL Number

MFCD00191681

Customs Code

2917190090

FAQ

What regulatory guidelines apply to Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5)?

Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5) falls under the scope of REACH regulations in the European Union, which requires registration, authorization, and reporting for substances and mixtures. Globally, it is classified under the GHS system, which may require specific hazard communication and label information. The FDA and EPA in the U.S. may also have specific guidelines for handling, storage, and disposal, depending on its intended use and concentration.

Are there alternatives to Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5) in synthesis?

In synthesis, Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5) can be replaced by similar compounds like diisobutyl 2,3-perylenedicarboxylate or other perylene derivatives. Common alternatives include using different diisobutyl derivatives or other organic compounds that provide similar functional groups for polymer synthesis or other applications.

What is the market or research trend for Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5)?

Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5) is gaining interest in research for its use in organic electronics, particularly in the development of organic photovoltaics and organic light-emitting diodes (OLEDs). Market trends indicate an increasing demand for materials with tailored electronic properties. Research is focusing on improving the stability and performance of these materials.

How should waste containing Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5) be handled?

Waste containing Diisobutyl 3,9-perylenedicarboxylate (CAS: 2744-50-5) should be collected in appropriate containers and stored in a well-ventilated area. Proper waste disposal should involve incineration or professional waste disposal services. Environmental precautions include ensuring that no waste enters waterways or soil. Safe handling and disposal should follow local and national regulations and guidelines.