Iodoacetonitrile
Structural formula
| Business number | 06RC |
|---|---|
| Molecular formula | C2H2NI |
| Molecular weight | 166.95 |
| label |
Iodoacetonitrile, Iodomethyl cyanide, ICH2CN |
Numbering system
CAS number:624-75-9
MDL number:MFCD00001886
EINECS number:210-860-0
RTECS number:None
BRN number:1734628
PubChem number:24896099
Physical property data
1. Characteristics: black to amber liquid.
2. Density (g/mL,25/4℃): 2.307
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): 182-184
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive index: 1.574
8. Flash Point (ºC): 86
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%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility: Undetermined.
Toxicological data
None yet
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: 24.19
2. Molar Volume (cm3/mol):73.7
3. isotonic ratio (90.2K）：194.0
4. Surface Tension (dyne/cm）：47.8
5. Polarization Rate（10-24cm3):9.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
2. Number of hydrogen bond donors: 0
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 23.8
7. Number of heavy atoms: 4
8. Surface charge: 0
9. Complexity: 41.2
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, reducing agents, acids, and alkalis.
Storage method
Store in an airtight container in a cool, dry place. The storage place must be away from oxidants, reducing agents, strong alkalis, and never be stored together with acids.
Synthesis method
None yet
Purpose
None yet
o-ascii-font-family: Arial; mso-hansi-font-family: Arial”>Isotonic specific volume (90.2K):194.0
4. Surface Tension (dyne/cm）：47.8
5. Polarization Rate（10-24cm3):9.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 0.7
2. Number of hydrogen bond donors: 0
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 23.8
7. Number of heavy atoms: 4
8. Surface charge: 0
9. Complexity: 41.2
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, reducing agents, acids, and alkalis.
Storage method
Store in an airtight container in a cool, dry place. The storage place must be away from oxidants, reducing agents, strong alkalis, and never be stored together with acids.
Synthesis method
None yet
Purpose
None yet
