3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one

Basic Information

View in Editor

CAS Number

50292-95-0

Molecular Formula

C42H52N2O2

Molecular Weight

616.89 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

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

95-100°C

Boiling Point

752.6°C at 760 mmHg

Density

1.09 g/cm3

Flash Point

409ºC

Refractive Index

1.592

SMILES

View in Editor

O=C1OC(C2=C(C)N(CCCCCCCC)C3=C2C=CC=C3)(C4=C(C)N(CCCCCCCC)C5=C4C=CC=C5)C6=C1C=CC=C6

InChI

InChI=1S/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3

InChIKey

XOEUNIAGBKGZLU-UHFFFAOYSA-N

LogP

11.396139999999987

Topological Polar Surface Area

36.16 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

898

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

RED DE16
Color former Red I-6B
3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-1(3H)-Isobenzofuranone
CK-16
3,3-Bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one
3,3-bis(2-methyl-1-octylindol-3-yl)-2-benzofuran-1-one
RED E16
EINECS 256-524-7
O977
Pergascript I-6B
Pergascript Red 16
Pergascript Red I 6B
3,3'-Bis(1-n-octyl-2-methylindol-3-yl)phthalide
3,3-Bis(2-methyl-1-octyl-1H-indol-3-yl)phthalide
1(3H)-Isobenzofuranone, 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-
C42H52N2O2

MDL Number

MFCD09838640

Customs Code

2934999090

FAQ

What is 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one (CAS: 50292-95-0)?

3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one is a complex organic compound. It has a molecular structure that includes indole and isobenzofuran moieties. This compound is characterized by its aromatic and heterocyclic nature, which gives it unique chemical properties. It is often used in pharmaceuticals and research due to its potential biological activities.

What are the main uses of 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one (CAS: 50292-95-0)?

The main uses of 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one include pharmaceutical applications, particularly as a precursor or intermediate in drug synthesis. It is also used in research for exploring its biological and chemical properties.

Is 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one (CAS: 50292-95-0) safe?

3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one is generally considered safe for laboratory use when handled with appropriate precautions. However, it should be stored away from heat and direct sunlight. Protective equipment such as gloves and goggles should be worn when manipulating the compound.

How should 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one (CAS: 50292-95-0) be stored?

3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)isobenzofuran-1(3H)-one should be stored in a cool, dry place away from heat and direct sunlight. It should be kept in a tightly sealed container to prevent degradation. Proper ventilation in the storage area is recommended to avoid the accumulation of flammable or toxic gases.