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.