Iodoacetamide
Structural formula
| Business number | 03WG |
|---|---|
| Molecular formula | C2H4INO |
| Molecular weight | 184.96 |
| label |
2-iodoacetamide, Iodoacetamide, Monoiodoacetamide, Enzymes·Proteins·Peptides |
Numbering system
CAS number:144-48-9
MDL number:MFCD00008028
EINECS number:205-630-1
RTECS number:AC4200000
BRN number:1739080
PubChem number:24278486
Physical property data
1. Physical property data:
1. Character：White crystal.
2. Melting point (℃):95℃.
3. Solubility: Soluble in hot water and easily soluble in ethanol.
Toxicological data
II. Toxicological data ：
1, acute toxicity: mice oral LD50: 74 mg/kg;
Mouse abdominal cavity LD50: 50 mg/kg;
Mouse intravenous LD50: 56 mg/kg.
2. Chronic toxicity/Carcinogenicity: Mouse transdermalTDLo:1480mg/kg20W-I
Ecological data
3. Ecological data:
Other harmful Effect: 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:27.84 2. Molar volume (m3/mol):81.1 3. Isotonic specific volume (90.2K):219.8 4. Surface tension (dyne/cm):53.7 5. Polarizability(10-24cm3）：11.04
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: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 43.1
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 44.9
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
Stable under normal temperature and pressure.
Storage method
Save at 2-8ºC.
Synthesis method
m3/mol): 81.1
3. Isotonic specific volume (90.2K):219.8
4. Surface tension (dyne/cm):53.7
5. Polarizability(10-24cm3）：11.04
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: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 3
6. Topological molecule polar surface area 43.1
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 44.9
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
Stable under normal temperature and pressure.
Storage method
Save at 2-8ºC.
Synthesis method
It is derived from the reaction of chloroacetamide and sodium iodide. Reflux chloroacetamide, anhydrous acetone, and anhydrous sodium iodide on the bath 15h. Cool to room temperature, filter out sodium chloride, recover acetone, cool slightly and pour into ice water of sodium bisulfate, then neutralize with saturated sodium sulfate solution to pH6. Cool and crystallize, and filter to obtain crude product. The crude product is recrystallized with water to obtain the finished product.
Purpose
for Organic Synthesis.
#333333; FONT-FAMILY: 宋体”>Obtained from the reaction of chloroacetamide and sodium iodide. Reflux chloroacetamide, anhydrous acetone and anhydrous sodium iodide on the bath15h. Cool to room temperature, filter out sodium chloride, recover acetone, cool slightly and pour into ice water of sodium bisulfate, then neutralize with saturated sodium sulfate solution to pH6. Cool and crystallize, and filter to obtain the crude product. The crude product is recrystallized with water to obtain the finished product.
Purpose
for Organic Synthesis.
