3-iodobenzylamine
structural formula
| business number | 07ax |
|---|---|
| molecular formula | c7h8in |
| molecular weight | 233.05 |
| label |
meta-iodobenzylamine, 3-iodobenzylamine, 3-iodobenzenemethanamine, ic6h4ch2nh2, aromatic compounds |
numbering system
cas number:696-40-2
mdl number:mfcd00192227
einecs number:000-000-0
rtecs number:none
brn number:2689602
pubchem number:24846513
physical property data
1. appearance: brown or colorless liquid.
2. density (g/ml,25/4℃): 1.748
3. relative vapor density (g/ml,air=1): undetermined
4. melting point (ºc): undetermined
5. boiling point (ºc,normal pressure): undetermined
6. boiling point (ºc,5.2kpa): undetermined
7. refractive index: 1.638-1.64
8. flash point (ºc):>110
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/logarial value of the partition coefficient of water: undetermined
17. explosion on��（%,v/v): undetermined
18. lower explosion limit (%,v/v): undetermined
19. solubility: not soluble in water.
toxicological data
none yet
ecological data
usually not harmful to water, do not discharge materials into the surrounding environment without government permission.
molecular structure data
1. molar refractive index: 47.61
2. molar volume（m3/ mol）：131.4
3. isotonic specific volume（90.2k)：348.7
4. surface tension（dyne/cm）：49.4
5. dielectric constant:
6. dipole moment（10 -24cm3)：
7. polarizability:18.87
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: 1
5. number of tautomers: none
6. topological molecule polar surface area 26
7. number of heavy atoms: 9
8. surface charge: 0
9. complexity: 85
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, air, acid.
storage method
store in a room filled with dry inert gas container and place in a cool, dry place. the storage area must be locked and the keys must be given to the technical experts and their assistants. store away from light. the storage place must be away from oxidants. do not store it together with acidic substances.
synthesis method
none yet
purpose
none yet
