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Home > Encyclopedia > 5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER structure

5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER 

structure
  • CAS No:

    57800-76-7

  • Formula:

    C6H4ClNO4S

  • Chemical Name:

    5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER

  • Synonyms:

    Methyl 5-chloro-4-nitrothiophene-2-carboxylate;5-Chlor-4-nitro-2-thiophencarbonsaeureMethylester;Methyl 5-chloro-4-nitro-2-thiophenecarboxylate;5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER;AKOS 91745;5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER, 95+%;Ethyl 5-chloro-4-nitrothiophene-2-carboxylate

5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Basic Attributes

221.62

220.95500

Characteristics

100

1.5g/cm3

83-84 °C

358.2°C at 760 mmHg

170.414ºC

1.583

5-CHLORO-4-NITROTHIOPHENE-2-CARBOXYLIC ACID METHYL ESTER Use and Manufacturing

Step 2: Compound 16 (30.00 g, 169.86 mmol)Soluble in 60mL sulfuric acid, Nitric acid (12.84 g, 203.83 mmol)Add 12mL sulfuric acid to mix, Immediately added to the above solution, Reaction at 0°C for 3 hoursThe reaction was stopped by adding 100 mL of ice water, extracted with ethyl acetate (100 mL x 3), dried over anhydrous sodium sulfate, and the solvent was recovered under reduced pressure. Column chromatography gave 18.0 g of a white solid (compound 17). The yield was 47.8percent.5-Chloro-4-nitrothiophene-2-carboxylic acid (1.0 g, 4.82 mmol) was dissolved in MeOH (50.0 mL), and SOCl

Computed Properties

Molecular Weight:221.62
XLogP3:2.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:220.9549565
Monoisotopic Mass:220.9549565
Topological Polar Surface Area:100
Heavy Atom Count:13
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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