4-Aminobenzoic acid CAS150-13-0

Details:

Density 1.3± 0.1g /cm3

Boiling point 339.9±25.0 °C at 760 mmHg

Melting point 187-189 °C(lit.)

Molecular formula C7H7NO2

Molecular weight 137.136

Flash point 159.4±23.2 °C

Accurate mass 137.047684

PSA 63.32000

LogP 0.83

Appearance properties white to off-white crystalline powder

Vapor pressure 0.0±0.8 mmHg at 25°C

Refractive index 1.637

Storage condition

1. Storage should be prevented from heat, moisture and sunlight, placed in a cool ventilated, dry place.

 

2. It is packed with polyethylene plastic bags lined with outer sacks, each bag is 50kg. Store in a dry, ventilated place. Store and transport in accordance with flammable and toxic chemicals.

 

stability

1. Stable at normal temperature and pressure.

 

Forbidden compound: strong oxidation

 

2. It has moderate toxicity. Irritates the skin and mucous membranes. Rinse quickly with water after contact with skin. The production workshop should be well ventilated and the equipment should be airtight. Operators should wear protective equipment.

 

 

Water solubility 4.7g /L (20 ºC)

Molecular structure

1. Molar refractive index: 37.41

 

2, molar volume (cm3/mol) : 104.2

 

3. Isotropic volume (90.2K) : 295.2

 

4. Surface tension (dyne/cm) : 64.3

 

5. Polarization (10-24cm3) : 14.83

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) : None

 

2. Number of hydrogen bond donors :2

 

3. Number of hydrogen bond receptors :3

 

4. Number of rotatable bonds :1

 

5. Number of tautomers :3

 

6. Topological molecular polar surface area 63.3

 

7. Number of heavy atoms :10

 

8. Surface charge :0

 

9. Complexity :128

 

10. Number of isotope atoms :0

 

11. Determine the number of primary constitutive centers :0

 

12. Number of indeterminate atomic orthotropic centers :0

 

13. Determine the number of chemical bond constitutive centers :0

 

14. Number of uncertain bond constitutive centers :0

 

15. Number of covalent bond units :1