3,3'-Methylenebis(1H-indole)

Basic Information

View in Editor

CAS Number

1968-05-4

Molecular Formula

C17H14N2

Molecular Weight

246.31 g/mol

EINECS

100-201-5

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

165.0 to 171.0 deg-C

Boiling Point

504.8°C at 760 mmHg

Density

1.271

Flash Point

232.5 °C

Solubility

N/A

Refractive Index

1.765

SMILES

View in Editor

C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2

InChIKey

VFTRKSBEFQDZKX-UHFFFAOYSA-N

LogP

4.240000000000002

pKa

16.91±0.30(Predicted)

Topological Polar Surface Area

31.58 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

286

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H319

H335

H413

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

H413 May cause long lasting harmful effects to aquatic life
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class IRRITANT Class IRRITANT

Storage Conditions

2-8℃

RTECS

NM0332000

Synonyms & References

English

GTPL11208
Oprea1_472633
BML3-F11
EN300-1717487
KBio3_000020
Bio1_000614
Bio2_000490
3,3-Diindolylmethane
M1399
BSPBio_003589
33'-Diindolylmethane
3-[(1H-indol-3-yl)methyl]-1H-indole
SPBio_001722
SB16901
CS-1652
3,3'-Methylenebis-1H-indole
BSPBio_001290
HMS1989A12
Q4634053
Z56791159
KBio2_002578
Spectrum5_001955
3-Diindolyl methane
3,3'-Diindolylmethane (DIM)
ARUNDINE
CCG-39861
FT-0614061
DIM;Arundine;HB 236
DIM
Oprea1_740951
MLS006011847

MDL Number

MFCD00195766

EC Number

100-201-5

Customs Code

2933990090

FAQ

What is 3,3'-Methylenebis(1H-indole) (CAS: 1968-05-4)?

3,3'-Methylenebis(1H-indole) is an organic compound with the CAS number 1968-05-4. It consists of two indole rings connected by a methylene group. This compound is known for its unique molecular structure and is used in various scientific applications. It has a molecular formula of C15H12N2 and is typically a solid at room temperature with a high melting point.

What are the main uses of 3,3'-Methylenebis(1H-indole) (CAS: 1968-05-4)?

3,3'-Methylenebis(1H-indole) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis and materials science. Due to its structural versatility, it is studied for potential use in medicinal chemistry and as a ligand in coordination complexes. Its properties make it relevant in both academic and industrial settings.

Is 3,3'-Methylenebis(1H-indole) (CAS: 1968-05-4) safe?

3,3'-Methylenebis(1H-indole) is generally considered safe when handled properly. However, it should be treated with standard chemical safety precautions. It is classified as a possible irritant, so protective gloves, goggles, and a lab coat are recommended. Proper ventilation and adherence to safety data sheets (SDS) are essential to ensure safe use in laboratory and industrial environments.

How should 3,3'-Methylenebis(1H-indole) (CAS: 1968-05-4) be stored?

3,3'-Methylenebis(1H-indole) should be stored in a cool, dry, and well-ventilated place away from light. It is best kept in a sealed container at a temperature below 25°C. Avoid exposure to moisture and air to maintain its stability. Proper storage conditions help preserve its chemical integrity and ensure safe handling.