3-iodoaniline
Structural formula
| Business number | 06SR |
|---|---|
| Molecular formula | C6H6IN |
| Molecular weight | 219.02 |
| label |
m-iodoaniline, 3-iodoaniline, m-Iodoaniline, m-Aminoiodobenzene, IC6H4NH2 |
Numbering system
CAS number:626-01-7
MDL number:MFCD00007781
EINECS number:210-922-7
RTECS number:BY3750000
BRN number:636058
PubChem number:24896111
Physical property data
1. Characteristics: colorless or brown low melting point solid.
2. Density (g/mL,25/4℃): 1.82
3. Relative vapor density (g/mL,AIR=1): 7.55
4. Melting point (ºC)：21-24
5. Boiling point (ºC,Normal pressure): 271
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.682
8. Flash point (ºC): 124
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): 0.007
12. Saturated vapor pressure (kPa,60ºC): Undetermined
13. Heat of combustion (KJ/mol): 51.0
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of water) partition coefficient: 2.74
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Insoluble in water.
Toxicological data
1, acute toxicity: mice (intravenous) LD50: 100mg/kg
Rat (peritoneal)LD50： 274mg /kg
Since the LD50 of table salt is 3,000 mg/kg, the acute toxicity of BPA is the same as that of table salt.
Ecological data
For products that are slightly harmful to water, do not let large amounts of products come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Moore refraction Rate: 43.39
2. Molar volume (cm3/mol):113.7
3. isotonic ratio (90.2K）：308.7
4. Surface Tension (dyne/cm）：54.1
5. Polarization Rate（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: 74.9
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
Keep away from oxides, light.
Storage method
Store in an airtight container, protected from light, and refrigerated. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
