3-iodopropionic 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:141-76-4

mdl number:mfcd00002765

einecs number:205-499-0

rtecs number:uf4900000

brn number:1699514

pubchem number:24895919

physical property data

1. physical property data:

1. character: flashing leaf crystals

2. melting point (℃): 85

3. solubility: very soluble in ethanol and ether, soluble in hot water, slightly soluble in cold water.

4. crystal phase standard claims heat (enthalpy) (kj·mol^-1): -460.0

toxicological data

2. toxicological data:

1. acute toxicity: mouse oral ldlo: 1900 mg/kg

2. chronic toxicity/carcinogenicity

mouse transdermal tdlo: 5700 mg/kg/3w-i

ecological data

3. ecological data:

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

5. molecular property data:

1. molar refractive index: 30.48

2. molar volume (cm³/mol): 91.5

3 , isotonic specific volume (90.2k): 247.2

4. surface tension (dyne/cm) 53.3

5. polarizability (10^-24cm ³): 12.08

compute chemical data

iv. calculated chemical data:

1. hydrophobic parameter calculation reference value (xlogp): 1

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 2

5. topological molecular polar surface area (tpsa): 37.3

6. number of heavy atoms: 6

7. surface charge: 0

8. complexity: 52.8

9. number of isotope atoms: 0

10. determine the number of atomic stereocenters: 0

11. uncertain number of atomic stereocenters: 0

12. determine the number of chemical bond stereocenters: 0

13. number of uncertain stereocenters of chemical bonds: 0

14. number of covalent bond units: 1

properties and stability

stable under normal temperature and pressure.

incompatible materials: strong oxidants, strong bases.

storage method

store sealed in a dry and cool place.

synthesis method

prepared by the reaction of β-hydroxypropionic acid and hydriodic acid.

purpose

used as a reagent for organic synthesis.