3-thiophenecarboxylic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:88-13-1

mdl number:mfcd00005467

einecs number:201-802-5

rtecs number:xm8330300

brn number:1994

pubchem number:24854891

physical property data

1. properties: needle-like crystals. can evaporate with water vapor

2. density (g/ml, 25/4℃): undetermined

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 137-141

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc ,5.2kpa): not determined

7. refractive index: not determined

8. flash point (ºc): not determined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: slightly soluble in water (25℃, 0.43g/100g).

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 31.56

2. molar volume (cm³/mol): 91.4

3. isotonic specific volume (90.2k ): 252.5

4. surface tension (dyne/cm): 58.1

5. polarizability (10-24cm3): 12.51

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 65.5

7. number of heavy atoms: 8

8. surface charge: 0

9. complexity: 103

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be sealed and stored in a cool, dry place away from light.

synthesis method

none yet

purpose

organic synthesis. ​​​​