3-Iodo-9-phenyl-9H-carbazole

Basic Information

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CAS Number

502161-03-7

Molecular Formula

C18H12IN

Molecular Weight

369.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

103.0 to 107.0 deg-C

Boiling Point

480.6℃ at 760 mmHg

SMILES

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C1=CC=C(C=C1)N2C3=C(C=C(C=C3)I)C4=CC=CC=C42

InChI

InChI=1S/C18H12IN/c19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-12H

InChIKey

PJUAIXDOXUXBDR-UHFFFAOYSA-N

LogP

5.388300000000004

Topological Polar Surface Area

4.93 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

338

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

3-IODO-N-PHENYLCARBAZOLE
A21216
SB66482
3-Iodo-9-phenyl-9H-carbazol
SY029807
CS-W021948
SCHEMBL296550
AKOS015896328
AC-22297
3-Iodo-9-phenylcarbazole
DTXSID40473310
MFCD09261276
FD14047
J-512696
3-iodo-N-phenyl-carbazole
3-iodo-9-phenyl-9H-carbazole
AM9749
FT-0651616
C18H12IN
AS-19013
I0913
502161-03-7
PJUAIXDOXUXBDR-UHFFFAOYSA-N
3-Iodo-N-phenylcarbazole
3-iodo-N-phenylcarbazol
3-Iodo-N-phenylcarba
9H-Carbazole, 3-iodo-9-phenyl-
AMCZ0007
SBB059732
LS40919
OL10023

MDL Number

MFCD09261276

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Iodo-9-phenyl-9H-carbazole (CAS: 502161-03-7)?

3-Iodo-9-phenyl-9H-carbazole has a crystalline form with a molecular weight of approximately 336.21 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and ethanol. The compound is known for its high reactivity, particularly towards nucleophilic substitution reactions involving the iodo group.

How is 3-Iodo-9-phenyl-9H-carbazole (CAS: 502161-03-7) typically synthesized?

3-Iodo-9-phenyl-9H-carbazole is typically synthesized via a Friedel-Crafts alkylation reaction, where phenyl iodide is added to 9-phenyl-9H-carbazole in the presence of an aluminum chloride catalyst. The reaction is carried out under anhydrous conditions to maximize yield and selectivity.

What industries use 3-Iodo-9-phenyl-9H-carbazole (CAS: 502161-03-7)?

3-Iodo-9-phenyl-9H-carbazole is primarily used in the pharmaceutical and semiconductor industries for its unique electronic and optical properties. It is also explored in the development of organic light-emitting diodes (OLEDs) and as a precursor in the synthesis of other functional materials.

What precautions should be taken when handling 3-Iodo-9-phenyl-9H-carbazole (CAS: 502161-03-7)?

When handling 3-Iodo-9-phenyl-9H-carbazole, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up using appropriate procedures, and the substance should be stored in a cool, dry place away from direct sunlight and ignition sources. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.