Iodoacetonitrile

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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