1-Chloro-4-iodobenzene
Structural formula
| Business number | 0714 |
|---|---|
| Molecular formula | C6H4ClI |
| Molecular weight | 238.45 |
| label |
4-Chlorobenzene iodide, 4-Chloroiodobenzene, p-iodochlorobenzene, p-Chlorophenyliodide, p-Iodophenylchloride, ClC6H4I, Halogenated alkanes |
Numbering system
CAS number:637-87-6
MDL number:MFCD00001053
EINECS number:211-305-5
RTECS number:None
BRN number:1634414
PubChem number:24846546
Physical property data
1. Properties: slightly white powder.
2. Density (g/mL, 25/4℃): 1.886
3. Relative density (25℃, 4℃): 1.88627
4. Melting point (ºC): 56.6
5. Boiling point (ºC, normal pressure): 227
6. Boiling point (ºC, 5.2kPa): Undetermined
7. Refractive index: 1.5262
8. Flash point (ºC):
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): 0.12
12. Saturated vapor pressure ( kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): 44.5
14. Critical temperature (ºC): Undetermined
15 . Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: 4.1217. Explosion upper limit (%, V/V): Undetermined 18. Lower explosion limit (%, V /V): Undetermined
19. Solubility: Insoluble in water.
Toxicological data
None yet
Ecological data
Do not allow undiluted or large quantities of products that are slightly hazardous to water 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: 44.05
2. Molar volume (cm3/mol): 123.4
3. Isotonic specific volume (90.2K ): 318.7
4. Surface tension (dyne/cm): 44.4
5. Polarizability (10-24cm3): 17.46
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: 0
4. RotatableNumber of scientific bonds: 0
5. Number of tautomers: None
6. Topological molecule polar surface area 0
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
Keep away from oxides.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
