m-iodotoluene
Structural formula
| Business number | 06SM |
|---|---|
| Molecular formula | C7H7I |
| Molecular weight | 218.03 |
| label |
3-iodotoluene, 1-iodo-3-methylbenzene, m-Methyl iodobenzene, 1-Iodo-3-methylbenzene, 3-Methyliodobenzene, 3-Iodotoluene, CH3C6H4I |
Numbering system
CAS number:625-95-6
MDL number:MFCD00001050
EINECS number:210-918-5
RTECS number:DA3440000
BRN number:1903634
PubChem number:24847977
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 25/4℃): 1.698
3. Relative density (20℃, 4℃): 1.705
4 . Melting point (ºC): -27.2
5. Boiling point (ºC, normal pressure): 213
6. Refractive index at room temperature (n20): 1.6053
7. Gas phase standard claims heat (enthalpy) (kJ·mol-1): 133.6
8. Flash point (ºC): 84
9. Liquid phase standard claims heat (enthalpy) (kJ·mol-1): 79.2
10. Autoignition point or ignition temperature (ºC) : Undetermined
11. Vapor pressure (kPa, 25ºC): 0.25
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): 43.1
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: 3.71
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (% ,V/V): Undetermined
19. Solubility: Hardly soluble in water.
Toxicological data
1. Acute toxicity: Rat (oral) LD50: 2,296mg/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
Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.
Molecular structure data
1. Molar refractive index: 43.98
2. Molar volume (cm3/mol): 127.7
3. Isotonic specific volume (90.2K ): 320.5
4. Surface tension (dyne/cm): 39.5
5. Polarizability (10-24cm3): 17.43
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. Number of rotatable chemical 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: 70.8
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 oxidizing agents.
Storage method
Store in an airtight container in a cool, dry place. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
