3-iodopropionic acid
structural formula
| business number | 03u9 |
|---|---|
| molecular formula | c3h5io2 |
| molecular weight | 199.98 |
| label |
3-iodo-propanoicaci |
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.