3-iodobenzylamine

Structural formula

Business number	07AX
Molecular formula	C7H8IN
Molecular weight	233.05
label	Meta-iodobenzylamine, 3-iodobenzylamine, 3-Iodobenzenemethanamine, IC6H4CH2NH2, aromatic compounds

• 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:696-40-2

MDL number:MFCD00192227

EINECS number:000-000-0

RTECS number:None

BRN number:2689602

PubChem number:24846513

Physical property data

1. Appearance: Brown or colorless liquid.

2. Density (g/mL,25/4℃): 1.748

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

4. Melting point (ºC): Undetermined

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

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

7. Refractive index: 1.638-1.64

8. Flash Point (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/Logarial value of the partition coefficient of water: undetermined

17. Explosion on��（%,V/V): Undetermined

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

19. Solubility: Not soluble in water.

Toxicological data

None yet

Ecological data

Usually not harmful to water, Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 47.61

2. Molar volume（m³/ mol）：131.4

3. Isotonic specific volume（90.2K)：348.7

4. Surface Tension（dyne/cm）：49.4

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability:18.87

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 85

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, light, air, acid.

Storage method

Store in a room filled with dry inert gas Container and place in a cool, dry place. The storage area must be locked and the keys must be given to the technical experts and their assistants. Store away from light. The storage place must be away from oxidants. Do not store it together with acidic substances.

Synthesis method

None yet

Purpose

None yet

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