Structural formula
| Business number | 070C |
|---|---|
| Molecular formula | C6H4INO2 |
| Molecular weight | 249.01 |
| label |
4-nitroiodobenzene, 4-iodonitrobenzene, p-nitroiodobenzene, 4-Iodonitrobenzene, p-Iodonitrobenzene, 4-Iodonitrobenzene, p-Iodonitrobenzene |
Numbering system
CAS number:636-98-6
MDL number:MFCD00007299
EINECS number:211-272-7
RTECS number:None
BRN number:1100378
PubChem number:24896164
Physical property data
1. Characteristics: yellow powder.
2. Density (g/mL,25/4℃):
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): 172-177
5. Boiling point (ºC,Normal pressure): 288-290
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash point (ºC): 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,60ºC): 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 (water): Undetermined
17. Explosion limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Insoluble in water, soluble in ethanol and ether.
Toxicological data
None yet
Ecological data
If it is slightly harmful to water, do not Allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 45.70
2. Molar volume (m3/mol）：123.3
3. Isotonic specific volume (90.2K):338.3
4. Surface Tension (dyne/cm):56.6
5. Polarizability（10-24cm3):18.11
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 45.8
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 126
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
Stored in Seal the container and place in a cool, dry place. The storage place must be away from oxidants and protected from light.
Synthesis method
None yet
Purpose
for Organic Synthesis.
