2-Chloro-9H-thioxanthen-9-one

Basic Information

View in Editor

CAS Number

86-39-5

Molecular Formula

C13H7ClOS

Molecular Weight

246.71 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

153-154 °C

Boiling Point

155°C

Density

1.4170

Water Solubility

Partly miscible in water.

Refractive Index

1.696

SMILES

View in Editor

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

InChIKey

ZCDADJXRUCOCJE-UHFFFAOYSA-N

LogP

4.068100000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

294

Safety Information

View Safety Information

GHS Hazard Pictograms

H228

Hazard Statement

H228 Flammable solid
Flammable solids

Hazard Class

Class 4.1 Class 4.1

Synonyms & References

English

Zuclopenthixol impurity B, European Pharmacopoeia (EP) Reference Standard
2-chloro-9-thioxanthenone
tert-ButylS-(4,6-dimethylpyrimidin-2-yl)thiolcarbonate
EINECS 201-667-2
FT-0612028
SCHEMBL37075
F13426
HMS2577I05
EU-0066618
2-chloranylthioxanthen-9-one
2-Chloro-9H-thioxanthen-9-one #
Thioxanthen-9-one, 2-chloro-
CHLORPROTHIXENE HYDROCHLORIDE IMPURITY E [EP IMPURITY]
InChI=1/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7
2-Chlorothioxanthen-9-one, 98%
BDBM74837
2-chloro-9-thioxanthone
MFCD00005067
SY033135
W-104069
Sandoray 1050
UNII-RGS87T004B
2-chlorothioxanthene-9-one
2-Chloro-9H-thioxanthen-9-one
Chlorprothixene Hydrochloride Imp. E (EP); Chlorprothixene Imp. E (EP); 2-Chloro-9H-thioxanthen-9-one; Chlorprothixene Hydrochloride Impurity E; Zuclopenthixol Decanoate Impurity B; Chlorprothixene Impurity E
cid_618848
AC-8084
CS-W020969
Q27288110
2-chloro-thioxanthone
SR-01000597219-1

MDL Number

MFCD00005067

Customs Code

2932999099

FAQ

What is 2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5)?

2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5) is an organic compound belonging to the thioxanthene family. It has the molecular formula C16H12ClO and is characterized by its aromatic ring structure with a thiol group and a ketone functional group. It is commonly used as an intermediate in the synthesis of various pharmaceutical and industrial compounds.

What are the main uses of 2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5)?

2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5) is primarily used in pharmaceutical research for the development of drugs, particularly as a building block for certain antifungal and antiviral agents. It also finds applications in the synthesis of dyes, agrochemicals, and other specialty chemicals due to its versatile chemical structure and reactivity.

Is 2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5) safe?

2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5) is considered hazardous and requires careful handling. It may cause skin and eye irritation, and inhalation can lead to respiratory issues. Safety standards recommend using appropriate personal protective equipment (PPE) and ensuring proper ventilation when working with this compound.

How should 2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5) be stored?

2-Chloro-9H-thioxanthen-9-one (CAS: 86-39-5) should be stored in a tightly sealed container, away from light and moisture. It is best kept at a cool temperature (typically below 25°C) to maintain stability. Avoid exposure to air and store in a well-ventilated area to prevent potential degradation or hazardous conditions.