4,5-Dichloro-3H-1,2-dithiol-3-one

Basic Information

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CAS Number

1192-52-5

Molecular Formula

C3Cl2OS2

Molecular Weight

187.07 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

Agricultural Chemicals Pesticides Herbicides

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

52-56 °C

Boiling Point

238.1°Cat760mmHg

Density

1.84

Refractive Index

1.701

SMILES

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C1(=C(SSC1=O)Cl)Cl

InChI

InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6

InChIKey

QGSRKGWCQSATCL-UHFFFAOYSA-N

LogP

2.4766

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

165

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

3,4-Dichloro-1,2-dithiacyclopent-3-en-5-one
CHEMBL1981277
DICHLORO-1,2-DITHIOL-3-ONE
NCI60_000812
1, dichloro-
N864R2B87O
4,5-Dichloro-3H-1,2-dithiol-3-one, 98%
DARACIDE 7802
4,2-dithiacyclopentenone
DTXCID4012518
DTXSID6032518
4,5-dichlorodithiol-3-one
4,5-Dichloro-1,2-dithiacyclopentenone
4,5-Dichloro-1,2-dithia-4-cyclopenten-3-one
SR-01000479855
Tox21_303406
Q27284694
NSC135976
4,5-Dichloro-3H-1,2-dithiol-3-one
4,5-Dichloro-3-oxo-1,2-dithiole
EINECS 214-754-5
4,5-Dichloro-3H-1,2-dithiol-3-one #
SR-01000479855-1
4,5-Dichloro-3H-1,2-dithiole-3-one
4,2-dithiol-3-one
Dichloro-1,2-dithiacyclopentenone
BRN 1342220
dichloro-3H-1,2-dithiol-3-one
4,5-Dichloro-1,2-dithiol-2-one
NS00008356
NCGC00257240-01

MDL Number

MFCD00043025

Customs Code

2930909090

FAQ

What is 4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5)?

4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5) is a chemical compound with the molecular formula C4H2Cl2S2O. It is a yellow or orange crystalline solid with a distinctive odor. This compound is used in various applications including as a reagent in organic synthesis and as a chemical intermediate.

What are the main uses of 4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5)?

4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5) is primarily used as a reagent in organic synthesis and as a chemical intermediate for the production of other compounds. It is also used in the synthesis of certain pharmaceuticals and dyes.

Is 4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5) safe?

4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5) is potentially hazardous and should be handled with care. It can cause skin and eye irritation. Proper protective measures, such as gloves and goggles, should be used during handling. Safe storage and disposal procedures must be followed to minimize risk.

How should 4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5) be stored?

4,5-Dichloro-3H-1,2-dithiol-3-one (CAS: 1192-52-5) should be stored in a cool, dry place away from direct sunlight and sources of ignition. It should be kept in a tightly sealed container to prevent moisture and air exposure. The storage area should be well-ventilated and accessible only to trained personnel.