p-iodoaniline
Structural formula
| Business number | 05K5 |
|---|---|
| Molecular formula | C6H6NI |
| Molecular weight | 219.02 |
| label |
4-iodoaniline, 4-iodoaniline, 1-amino-4-iodobenzene, p-aminoiodobenzene, p-Aminobenzene iodide, 1-Amino-4-iodobenzene, 4-iodo-Benzenamine |
Numbering system
CAS number:540-37-4
MDL number:MFCD00007848
EINECS number:208-743-4
RTECS number:BY3850000
BRN number:774101
PubChem number:24857388
Physical property data
1. Character: white crystal
2. Density (g/ cm3,25/4℃): Undetermined
3. Relative vapor density (g/cm3,air=1): Undetermined
4. Melting point (ºC):61-63
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,8kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash point (ºF): Undetermined
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturated vapor pressure (kPa,55.1ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. oil and water ( Octanol/Log value of partition coefficient for water: undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Undetermined
Toxicological data
1, acute toxicity: oral administration to ratsLD50: 523mg/kg, no details except lethal dose;
Rat meridian unknown routeLDLo: 500mg/kg, no details except lethal dose;
Wild birds orally LD50 : 100mg/kg, no details except lethal dose;
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index:43.39
2. Molar volume (m3/mol):113.7
3. Isotonic specific volume (90.2K): 308.7
4. Surface tension (dyne/cm): 54.1
5, Polarizability（10-24cm3）：17.20
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: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 26
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 66.9
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry, well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
It is derived from the reaction of aniline and iodine in the presence of sodium bicarbonate. Add aniline and sodium bicarbonate to water, and slowly add crushed iodine in portions while stirring vigorously. After the addition is complete, continue stirring for 20 minutes. If the reaction solution is yellow, add a little sodium bisulfite to make it fade, and then filter it to get the crude product. The finished product is obtained by recrystallization from ethanol.
Purpose
This product is an intermediate for pesticides and dyes. Used in organic synthesis and dye industry