Ethyl 5-chloro-4-nitrothiophene-2-carboxylate

Basic Information

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CAS Number

89640-03-9

Molecular Formula

C7H6ClNO4S

Molecular Weight

235.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Basic Physical Properties

SMILES

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CCOC(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C7H6ClNO4S/c1-2-13-7(10)5-3-4(9(11)12)6(8)14-5/h3H,2H2,1H3

InChIKey

VJKXMTCBMRGJIE-UHFFFAOYSA-N

LogP

3.00960

Complexity

244

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

5-chloro-4-nitro-thiophene-2-carboxylic acid ethyl ester
Ethyl 5-chloro-4-nitrothiophene-2-carboxylate
2-Chlor-3-nitro-5-carbethoxy-thiophen
VJKXMTCBMRGJIE-UHFFFAOYSA-N
ST2413035
AX8103557
AB0025623
W7113
2-Thiophenecarboxylicacid,5-chloro-4-nitro-,ethylester
5-Chloro-4-nitrothiophene-2-carboxylic acid ethyl ester
CS-W005970
PB48303
SY112538
89640-03-9
ethyl 5-chloro-4-nitro-thiophene-2-carboxylate
SCHEMBL1455300
5-Chloro-4-nitro-thiophene-2-carboxylic acid ethyl ester
AKOS015849922
MFCD12974868
J-521128
DS-0220

MDL Number

MFCD12974868

FAQ

What are the physical and chemical properties of Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS: 89640-03-9)?

Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS: 89640-03-9) is a crystalline compound with a molecular weight of approximately 250.03 g/mol. It has a low solubility in water but is moderately soluble in common organic solvents like ethanol and acetone. Chemically, it is reactive due to its thiophene and carboxylic acid functionalities, and it can undergo substitution and oxidation reactions easily.

How is Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS: 89640-03-9) typically synthesized?

Ethyl 5-chloro-4-nitrothiophene-2-carboxylate is typically synthesized from 5-chloro-4-nitrothiophene and ethyl chloroformate using triethylamine as a base. The reaction is carried out in an organic solvent like dichloromethane under stirring and cooling. The yield is usually around 70-80%, and the product can be purified by recrystallization.

What industries use Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS: 89640-03-9)?

Ethyl 5-chloro-4-nitrothiophene-2-carboxylate is used in the pharmaceutical industry for the synthesis of certain drugs, as well as in the development of sensors and electronic materials. Its reactivity and functional groups make it valuable for applications in polymer chemistry and semiconductor technology.

What precautions should be taken when handling Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS: 89640-03-9)?

When handling Ethyl 5-chloro-4-nitrothiophene-2-carboxylate (CAS: 89640-03-9), ensure use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be neutralized with an appropriate reagent and cleaned up promptly. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.