2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione | CAS No. 12671-74-8

2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione

Basic Information

CAS Number

12671-74-8

Molecular Formula

C36H45NO2S

Molecular Weight

555.83 g/mol

AD

Basic Physical Properties

CCCCCCCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=CC=CC=C5S4)C1=O

InChI

InChI=1S/C36H45NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-35(38)29-23-22-28-27-20-17-18-21-31(27)40-32-25-24-30(36(37)39)33(29)34(28)32/h17-18,20-25H,2-16,19,26H2,1H3

InChIKey

YDQLECBCTASDOZ-UHFFFAOYSA-N

LogP

10.582099999999992

Topological Polar Surface Area

39.07 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

800

Safety Information

View Safety Information

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

Synonyms & References

English

  • SCHEMBL559250
  • EC 248-702-8
  • AKOS022185035
  • NS00005979
  • DTXSID9065314
  • 1H-Thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione, 2-octadecyl-
  • 2-Octadecyl-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
  • 27870-92-4
  • 14-octadecyl-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
  • EINECS 248-702-8
  • A926743
  • MFCD00144314
  • 12671-74-8
  • 2-Octadecyl-1H-thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione
  • Fluorescent Yellow 3G
  • 1H-Thioxantheno(2,1,9-def)isoquinoline-1,3(2H)-dione, 2-octadecyl-
  • 2-octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione
  • Solvent Yellow 98
  • Solvent Yellow 98
  • Elbaplast Fluorescent Yellow G
  • Keyplast Fluorescent Yellow 3R
  • Polysolve Yellow 98
  • Rosaplast Yellow FSG.
  • Yellow FRL
  • C.I. 56238
  • C.I.Solvent Yellow 98
  • Solvent yellow 98 (C.I. 56238)

MDL Number

MFCD00144314

FAQ

What is 2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione (CAS: 12671-74-8)?

2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione is a complex heterocyclic aromatic compound. It features a benzoisoquinoline ring system with an isothiochromene moiety. This compound exhibits unique spectral and electronic properties, making it of interest in various applications.

What are the main uses of 2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione (CAS: 12671-74-8)?

The compound is primarily used in analytical chemistry for spectroscopic studies due to its distinctive spectral characteristics. It also has potential applications in pharmaceuticals as a potential therapeutic agent and in polymer science as a functional monomer.

Is 2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione (CAS: 12671-74-8) safe?

The compound is generally considered safe for laboratory use with appropriate precautions. It is important to handle with gloves and in a well-ventilated area. Avoid contact with skin and eyes. Dispose of waste materials according to local regulations.

How should 2-Octadecyl-1H-benzo[3,4]isothiochromeno[7,8,1-def]isoquinoline-1,3(2H)-dione (CAS: 12671-74-8) be stored?

Store in a cool, dark place away from direct sunlight. Keep the compound in a tightly sealed container to prevent degradation. Maintain a temperature below 25°C and avoid exposure to moisture.

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