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.
