1,3-diiodobenzene

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:626-00-6

MDL number:MFCD00041731

EINECS number:210-921-1

RTECS number:None

BRN number:1904540

PubChem number:24871105

Physical property data

1. Characteristics: light brown or cream solid.

2. Density (g/mL,25/4℃): 2.47

3. Relative vapor density (g/mL, Air=1 ): Undetermined

4. Melting point (ºC): 35-37

5. Boiling point (ºC,Normal pressure): 285

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive Index: Undetermined

8. Flashpoint (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/Log value of water) partition coefficient: Undetermined

17. Explosion limit (%,V/V) : Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: soluble in ethanol, ether and chloroform, insoluble in water.

Toxicological data

None yet

Ecological data

Generally not hazardous to water, do not discharge material into the surrounding environment without government permission.

Molecular structure data

1. Moore refraction Rate: 52.06

2. Molar Volume (cm³/mol):133.5

3. Isotonic specific volume (90.2K):358.4

4. Surface Tension (dyne/cm）：51.8

5. Polarization Rate（10^-24cm³):20.64

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.2

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: 64.9

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 light, oxides.

Storage method

Store in an airtight container in a cool, dry place. Store away from oxidizing agents. Keep away from light.

Synthesis method

It is obtained by diazotization and replacement of m-phenylenediamine hydrochloride.

Purpose

Used in organic synthesis.

Resource:allhdi.com