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3,4-Thiophenedicarboxylic acid

  • Name 3,4-Thiophenedicarboxylic acid
  • EINECSN/A
  • CAS No. 4282-29-5
  • Density1.655 g/cm3
  • PSA102.84000
  • LogP1.14450
  • SolubilityN/A
  • Melting Point227-231 °C
  • FormulaC6H4O4S
  • Boiling Point405.9 °C at 760 mmHg
  • Molecular Weight172.161
  • Flash Point199.3 °C
  • Transport InformationN/A
  • Appearanceyellow to beige-pinkish or light brown crystalline
  • Safety24/25
  • Risk Codes36/37/38
  • Molecular Structure
    Molecular Structure of 4282-29-5 (THIOPHENE-3,4-DICARBOXYLIC ACID)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data25

3,4-Thiophenedicarboxylic acid Synthetic route

18853-32-2

3,4-dicyanothiophene

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide In ethylene glycol for 4h; Heating;90%
Stage #1: 3,4-dicyanothiophene With potassium hydroxide In ethylene glycol
Stage #2: With hydrogenchloride; water In ethylene glycol
88%
With potassium hydroxide In water; ethylene glycol88%
4282-35-3

dimethyl thiophene-3,4-dicarboxylate

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With sodium hydroxide In water at 80℃;80%

C9H10O4S

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With sodium hydroxide at 80℃;66%
19259-08-6

3,4-diiodothiophene

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With n-butyllithium; diethyl ether at -60℃; Behandeln des Reaktionsgemisches mit festem Kohlendioxid;
73926-95-1

diethyl 2-formyl-3-(diethoxymethyl)succinate

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With phosphorous (V) sulfide; toluene Erwaermen des Reaktionsprodukts mit wss.-aethanol. Natronlauge;
Multi-step reaction with 2 steps
1: P2S5 / toluene / 2 h / Heating
2: aq. NaOH / ethanol / Heating
View Scheme
4282-30-8

3,4-thiophenedicarboxylic acid monomethyl ester

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol; water at 41.1℃; Kinetics; various solvents, various temperatures;
53229-47-3

diethyl thiophene-3,4-dicarboxylate

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With sodium hydroxide In ethanol Heating; Yield given;
70145-29-8

diethyl 2-(diethoxymethyl)succinate

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium ethylate; diethyl ether
2: toluene; phosphorus (V)-sulfide / Erwaermen des Reaktionsprodukts mit wss.-aethanol. Natronlauge
View Scheme
5472-38-8

diethyl 2-formylbutanedioate

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: ethanol; sulfuric acid
2: sodium ethylate; diethyl ether
3: toluene; phosphorus (V)-sulfide / Erwaermen des Reaktionsprodukts mit wss.-aethanol. Natronlauge
View Scheme
3141-26-2

3,4-dibromothiophene

124-38-9

carbon dioxide

A

16694-17-0

4-bromo-3-thiophenecarboxylic acid

B

4282-29-5

thiophene-3,4-dicarboxylic acid

Conditions
ConditionsYield
With n-butyllithium In diethyl ether

3,4-Thiophenedicarboxylic acid Specification

The 3,4-Thiophenedicarboxylicacid, with the CAS registry number 4282-29-5, is also known as 3,4-Dicarboxythiophene. It belongs to the product categories of Acids and Derivatives; Heterocycles; API Intermediates; Building Blocks; Carboxy; Thiophene. This chemical's molecular formula is C6H4O4S and molecular weight is 172.16. What's more, both its IUPAC name and systematic name are the same which is called Thiophene-3,4-dicarboxylic acid. It is yellow to beige-pinkish or light brown crystalline.

Physical properties about 3,4-Thiophenedicarboxylicacid are: (1)ACD/LogP: 0.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.74; (4)ACD/LogD (pH 7.4): -3.8; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 80.84 Å2; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 38.49 cm3; (15)Molar Volume: 103.9 cm3; (16)Surface Tension: 83.9 dyne/cm; (17)Density: 1.655 g/cm3; (18)Flash Point: 199.3 °C; (19)Enthalpy of Vaporization: 69.34 kJ/mol; (20)Boiling Point: 405.9 °C at 760 mmHg; (21)Vapour Pressure: 2.57E-07 mmHg at 25 °C; (22)Melting Point: 227-231 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. You should avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cscc1C(=O)O
(2) InChI: InChI=1/C6H4O4S/c7-5(8)3-1-11-2-4(3)6(9)10/h1-2H,(H,7,8)(H,9,10)
(3) InChIKey: ZWWLLYJRPKYTDF-UHFFFAOYAU

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