3,4-Dichloro-1,2-thiazole-5-carboxylic acid

Basic Information

View in Editor

CAS Number

18480-53-0

Molecular Formula

C4HCl2NO2S

Molecular Weight

198.03 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

Basic Physical Properties

Physical State

Solid

Melting Point

179-180 ºC

Boiling Point

205.9°C at 760 mmHg

SMILES

View in Editor

C1(=C(SN=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C4HCl2NO2S/c5-1-2(4(8)9)10-7-3(1)6/h(H,8,9)

InChIKey

HQZKNCJWLIWCSV-UHFFFAOYSA-N

LogP

2.1481

Topological Polar Surface Area

50.19 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

156

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

Synonyms & References

English

3,4-dichloro-isothiazole-5-carboxylic acid
BCP00113
FT-0645947
3,4-Dichloro-5-isothiazolecarboxylic acid
AS-10714
DTXSID7041467
A15328
CHEMBL3183876
3,4-Dichloroisothiazole-5-carboxylicacid
18480-53-0
MFCD03789232
SCHEMBL1170450
DTXCID5021467
NCGC00254774-01
EN300-84451
dichloro-1,2-thiazole-5-carboxylic acid
3,4-Dichloroisothiazole-5-carboxylic acid
EC 619-518-9
3,4-dichloro-1,2-thiazole-5-carboxylic acid
AMY31917
NS00005810
UNII-1C7254T4E6
CAS-18480-53-0
3,4-Dichloro-5-isothiazolecarboxylate
CS-W021795
3,4-dichloro-5-isothiazole-carboxylic acid
SY063567
HQZKNCJWLIWCSV-UHFFFAOYSA-N
AKOS006278926
Tox21_300870
5-Isothiazolecarboxylicacid, 3,4-dichloro-

MDL Number

MFCD03789232

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3,4-Dichloro-1,2-thiazole-5-carboxylic acid (CAS: 18480-53-0)?

3,4-Dichloro-1,2-thiazole-5-carboxylic acid is a crystalline solid with a molecular weight of approximately 218.03 g/mol. It has poor water solubility and is more soluble in organic solvents. It is known for its acidic nature and reactivity towards nucleophiles. This compound can undergo various chemical transformations, including esterification and amide formation.

How is 3,4-Dichloro-1,2-thiazole-5-carboxylic acid (CAS: 18480-53-0) typically synthesized?

3,4-Dichloro-1,2-thiazole-5-carboxylic acid is commonly synthesized through the condensation of chloroacetyl chloride with 2-chlorothiazole. The reaction proceeds via a nucleophilic substitution and condensation mechanism, yielding a high yield of the desired product. This process often involves the use of a basic catalyst to enhance the reaction selectivity.

What industries use 3,4-Dichloro-1,2-thiazole-5-carboxylic acid (CAS: 18480-53-0)?

3,4-Dichloro-1,2-thiazole-5-carboxylic acid finds application in the pharmaceutical industry for the synthesis of certain medicinal compounds. It also has potential uses in the polymer industry for the development of functional materials. Additionally, it can be employed in the field of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3,4-Dichloro-1,2-thiazole-5-carboxylic acid (CAS: 18480-53-0)?

When handling 3,4-Dichloro-1,2-thiazole-5-carboxylic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or under a fume hood due to its potential for inhalation. In the event of a spill, it is important to follow the safety data sheet (SDS) guidelines for proper disposal and clean-up procedures to prevent environmental contamination.