1-Chloro-4-iodobenzene

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:637-87-6

MDL number:MFCD00001053

EINECS number:211-305-5

RTECS number:None

BRN number:1634414

PubChem number:24846546

Physical property data

1. Properties: slightly white powder.

2. Density (g/mL, 25/4℃): 1.886

3. Relative density (25℃, 4℃): 1.886²⁷

4. Melting point (ºC): 56.6

5. Boiling point (ºC, normal pressure): 227

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

7. Refractive index: 1.5262

8. Flash point (ºC):

9. Specific rotation (º): Undetermined

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10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa, 25ºC): 0.12

12. Saturated vapor pressure ( kPa, 60ºC): Undetermined

13. Heat of combustion (KJ/mol): 44.5

14. Critical temperature (ºC): Undetermined

15 . Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: 4.1217. Explosion upper limit (%, V/V): Undetermined 18. Lower explosion limit (%, V /V): Undetermined

19. Solubility: Insoluble in water.

Toxicological data

None yet

Ecological data

Do not allow undiluted or large quantities of products that are slightly hazardous to water to come into contact with groundwater, waterways or sewage systems. Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 44.05

2. Molar volume (cm³/mol): 123.4

3. Isotonic specific volume (90.2K ): 318.7

4. Surface tension (dyne/cm): 44.4

5. Polarizability (10^-24cm³): 17.46

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. RotatableNumber of scientific 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: 66.9

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 oxides.

Storage method

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

Synthesis method

None yet

Purpose

None yet

Resource:allhdi.com