3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (1:1)

Basic Information

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CAS Number

6469-93-8

Molecular Formula

C18H19Cl2NS

Molecular Weight

352.33 g/mol

Chemical Classification

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

Melting Point

224-226?C

Boiling Point

461.8ºC at 760 mmHg

Flash Point

233.1ºC

SMILES

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CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl

InChI

InChI=1S/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H

InChIKey

YWKRLOSRDGPEJR-UHFFFAOYSA-N

LogP

5.609800000000004

Topological Polar Surface Area

3.24 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

381

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

MLS001076082
(E)-Chlorprothixene hydrochloride
NSC 64084
DTXSID701017267
CHLORPROTHIXENE HYDROCHLORIDE [EP IMPURITY]
268KCR965N
Q27254072
6469-93-8
Thioxanthene-delta9,gamma-propylamine, 2-chloro-N,N-dimethyl-, hydrochloride, (E)-
CCG-268050
NSC 169899
Chlorprothixene HCl
cis-Chlorprothixene hydrochloride
UNII-268KCR965N
1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-,hydrochloride, (3Z)-
s5399
cis-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochloride
trans-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanthene, hydrochloride
(E)-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride
CHLORPROTHIXENE HYDROCHLORIDE [MI]
1-Propanamine, 3-(2-chloro-9h-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride (1:1), (3Z)-
Chlorprothixene hydrochloride
(Z)-Chlorprothixene hydrochloride
Minithixen hydrochloride
SMR000653468
CHLORPROTHIXENE HYDROCHLORIDE [EP MONOGRAPH]
EINECS 229-289-3
CHLORPROTHIXENE HYDROCHLORIDE [JAN]
Minithixen
AS-75712
Truxal hydrochloride

MDL Number

MFCD01941605

FAQ

What are the physical and chemical properties of 3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8)?

3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8) is a crystalline compound with a molecular weight of approximately 342.64 g/mol. It has a solubility in water of around 0.1 g/L at 25°C. The compound is stable under normal conditions but reacts with strong bases. It is insoluble in common organic solvents like ether and chloroform. This compound is often used in pharmaceutical applications due to its chemical reactivity.

How is 3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8) typically synthesized?

3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8) is typically synthesized via a multistep process involving the reaction of 2-chloro-9H-thioxanthen-9-one with dimethyl-1-propanamine. The reaction is conducted under mild conditions, and the product is obtained with good yield and high purity. This compound is synthesized using common organic reaction techniques.

What industries use 3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8)?

3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8) is primarily used in the pharmaceutical industry for developing new drugs. It is also used in the semiconductor industry for manufacturing electronic materials and in the polymer industry for modifying polymer properties. This compound is also explored for its potential applications in sensor technology.

What precautions should be taken when handling 3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8)?

When handling 3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride (CAS: 6469-93-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate procedures, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information. This compound is toxic and should be handled with care to avoid accidental exposure.