m-iodotoluene

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:625-95-6

MDL number:MFCD00001050

EINECS number:210-918-5

RTECS number:DA3440000

BRN number:1903634

PubChem number:24847977

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 25/4℃): 1.698

3. Relative density (20℃, 4℃): 1.705

4 . Melting point (ºC): -27.2

5. Boiling point (ºC, normal pressure): 213

6. Refractive index at room temperature (n²⁰): 1.6053

7. Gas phase standard claims heat (enthalpy) (kJ·mol^-1): 133.6

8. Flash point (ºC): 84

9. Liquid phase standard claims heat (enthalpy) (kJ·mol^-1): 79.2

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

11. Vapor pressure (kPa, 25ºC): 0.25

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

13. Heat of combustion (KJ/mol): 43.1

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Log value of oil-water (octanol/water) partition coefficient: 3.71

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

18. Explosion lower limit (% ,V/V): Undetermined

19. Solubility: Hardly soluble in water.

Toxicological data

1. Acute toxicity: Rat (oral) LD50: 2,296mg/kg

Since the LD50 of table salt is 3,000 mg/kg, the acute toxicity of BPA is the same as that of table salt.

Ecological data

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

Molecular structure data

1. Molar refractive index: 43.98

2. Molar volume (cm³/mol): 127.7

3. Isotonic specific volume (90.2K ): 320.5

4. Surface tension (dyne/cm): 39.5

5. Polarizability (10^-24cm³): 17.43

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. 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: 70.8

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.

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