4H-Carbazol-4-one hydrochloride (1:1)

Basic Information

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CAS Number

99614-70-7

Molecular Formula

C12H8ClNO

Molecular Weight

217.65 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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C1=CC2=C3C(=O)C=CC=C3N=C2C=C1.Cl

InChI

InChI=1S/C12H7NO.ClH/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13-10;/h1-7H;1H

InChIKey

WYXPBFJNQZWFCO-UHFFFAOYSA-N

LogP

0.9151

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

510

Synonyms & References

English

AS-14333
carbazol-4-one;hydrochloride
CS-0457838
4H-carbazol-4-one hydrochloride
AKOS037643338
carbazol-4-one hydrochloride
4-carbazolone hydrochloride
99614-70-7
A846055
1,2,3,9-Tetrahydro-9-methyl-3-[(2-methylamino)methyl]-4H-carbazol-4-one
3-[(DIMETHYLAMINO)METHYL]-1,2,3,9-TETRAHYDRO-9-METHYL-4H-CARBAZOL-4-ONE HYDROCHLORIDE

MDL Number

MFCD00800231

FAQ

What are the physical and chemical properties of 4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7)?

4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7) is a crystalline compound with a molecular weight of approximately 266.8 g/mol. It has a high solubility in water and organic solvents. Chemically, it is less reactive compared to other carbazoles, making it stable under normal conditions. This compound is commonly used in the synthesis of functional materials and pharmaceuticals.

How is 4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7) typically synthesized?

4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7) is synthesized through the condensation of benzaldehyde and α-naphthol followed by acid treatment to form the hydrochloride salt. The reaction typically yields a mixture that requires recrystallization to obtain the pure compound. This synthesis is performed under mild conditions, involving the use of acetic acid as a catalyst.

What industries use 4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7)?

4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7) is used in various industries. It is a key intermediate in the development of organic semiconductors and polymers, as well as in pharmaceuticals where it serves as a building block for drug molecules. Additionally, it is used in the production of sensors and other functional materials.

What precautions should be taken when handling 4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7)?

When handling 4H-Carbazol-4-one hydrochloride (CAS: 99614-70-7), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and lab coat. This compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be cleaned up with the appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.