IR-813 perchlorate

Basic Information

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CAS Number

201024-57-9

Molecular Formula

C40H40Cl2N2O4

Molecular Weight

683.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

238-242 ºC

SMILES

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CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C40H40ClN2.ClHO4/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6;2-1(3,4)5/h7-10,12-13,16-25H,11,14-15H2,1-6H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

QUUNBGLRLXAGFO-UHFFFAOYSA-M

LogP

9.55480

Complexity

1260

Synonyms & References

English

201024-57-9
HY-D1535
IR 813 (perchlorate)
CS-0542049
(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1, 1, 3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1, 1, 3-trimethylbenzo[e]indole;perchlorate
2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole;perchlorate
IR-813 perchlorate
2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2h-benzo[e]-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1,3-trimethyl-1h-benzo[e]indolium perchlorate
IR-813 perchlorate,2-[2-[2-Chloro-3-[2-(1,3-dihydro-1,1,3-trimethyl-2H-benzo[e]-indol-2-ylidene)-ethylidene]-1-cyclohexen-1-yl]-ethenyl]-1,1,3-trimethyl-1H-benzo[e]indolium perchlorate

MDL Number

MFCD03427061

FAQ

What regulatory guidelines apply to IR-813 perchlorate (CAS: 201024-57-9)?

IR-813 perchlorate (CAS: 201024-57-9) must comply with GHS classification, REACH regulations, FDA guidelines for organic solvents, and EPA regulations for hazardous substances. It is classified as a toxic and flammable material.

Are there alternatives to IR-813 perchlorate in synthesis (CAS: 201024-57-9)?

Alternatives to IR-813 perchlorate in synthesis include other perchlorates like potassium perchlorate or ammonium perchlorate, and non-perchlorate salts such as lithium perchlorate. These alternatives may vary in reactivity and stability.

What is the market or research trend for IR-813 perchlorate (CAS: 201024-57-9)?

The market for IR-813 perchlorate (CAS: 201024-57-9) is growing due to its application in organic synthesis and pharmaceuticals. Research trends include exploring its use in green chemistry processes and developing safer alternatives.

How should waste containing IR-813 perchlorate (CAS: 201024-57-9) be handled?

Waste containing IR-813 perchlorate (CAS: 201024-57-9) should be collected in sealed containers, stored in a secure area, and disposed of through professional waste disposal services. Incineration is a common method, with proper air pollution control measures in place.