1,1,2-Trimethyl-1H-benz[e]indole Chemical Properties

Melting point:

111-117 °C

Boiling point:

338.66°C (rough estimate)

Density 

0.7

refractive index 

1.5720 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

solubility 

insoluble (20°C)

form 

Crystalline Powder

pka

5.77±0.40(Predicted)

color 

Yellow to brown

Water Solubility 

insoluble (20 ºC)

BRN 

153709

InChI

InChI=1S/C15H15N/c1-10-15(2,3)14-12-7-5-4-6-11(12)8-9-13(14)16-10/h4-9H,1-3H3

InChIKey

WJZSZXCWMATYFX-UHFFFAOYSA-N

SMILES

N1C2=C(C3=CC=CC=C3C=C2)C(C)(C)C=1C

CAS DataBase Reference

41532-84-7(CAS DataBase Reference)

EPA Substance Registry System

1H-Benz[e]indole, 1,1,2-trimethyl- (41532-84-7)

Safety Information

Hazard Codes 

Xi,T

Risk Statements 

36/37/38-45

Safety Statements 

26-36-53-45-37/39

WGK Germany 

3

TSCA 

Yes

HS Code 

29339900

MSDS

• Language:English Provider:2,3,3-Trimethylnaphto[1,2-d]pyrrole
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

1,1,2-Trimethyl-1H-benz[e]indole Usage And Synthesis

Chemical Properties

yellow to brown crystalline powder

Uses

1,1,2-Trimethyl-1H-benzo[e]indole can be used as an indole pH fluorescent probe and can be used for intracellular pH detection and cell marking. It can also be used as a novel nanocarrier-based near-infrared optical probes for in-vivo tumor imaging.

Synthesis

Isopropyl methyl ketone (9.00 g, 0.1 mol) was added to a solution of 2-naphthylhydrazine hydrochloride (15.80 g, 0.1 mol) in glacial acetic acid (100 mL). The mixture was stirred for 0.5 h at 20 °C and refluxed for 6 h. Then, the reaction mixture was poured onto ice and neutralized with sodium carbonate, a precipitate formed was collected by filtration. The yield was 19.8 g (95%).

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