3,5-Dimethylaniline 3,5-Xylidine

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:108-69-0

MDL number:MFCD00007813

EINECS number:203-607-0

RTECS number:ZE9625000

BRN number:507051

PubChem number:24848222

Physical property data

1. Properties: yellow oily liquid.

2. Density (g/mL, 20/4℃): 0.9706

3. Melting point (ºC): 7~9.8

4. Boiling point ( ºC, normal pressure): 220.5~221

5. Refractive index (20ºC): 1.5578

6. Flash point (ºC): 93

7. Flash point (ºC): 317

8. Explosion upper limit (%, V/V): 7.0

9. Explosion lower limit (%, V/V): 1.0

10. Solubility: Slightly soluble in water, soluble in ethanol, ether, chloroform, benzene and acid solutions.

Toxicological data

1. Acute toxicity: Rat oral LD50: 707mg/kg; Mouse oral LD50: 421mg/kg;

2. Mutagenicity: Microbial Salmonella typhimurium mutation: 1mg/plate ;

3. Its toxicity is similar to that of aniline, forming methemoglobin, causing tissue hypoxia, and causing damage to the central nervous system, cardiovascular system and other organs. Strong damage to the central nervous system and liver. It has a weak effect on blood and can also cause dermatitis.

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies. Since it is alkaline, special attention should also be paid to plants. Special attention should also be paid to vegetables, soil and water organisms.

Molecular structure data

1. Molar refractive index: 40.13

2. Molar volume (cm³/mol): 124.2

3. Isotonic specific volume (90.2K ): 308.3

4. Surface tension (dyne/cm): 37.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 15.91

Compute chemical data

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

2.�Number of � bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 0

5. Mutator variation Number of structures: None

6. Topological molecule polar surface area 26

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 80.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain stereocenters of atoms: 0

13. The number of determined stereocenters of chemical bonds: 0

14. The number of uncertain stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxides. Steam and air can form explosive mixtures, which may cause combustion and explosion hazards when exposed to open flames or high heat.

2. Exist in mainstream smoke.

3. Highly toxic!

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None

Purpose

Used as intermediates, solvents, stabilizers and analytical reagents in the dye, pigment and pharmaceutical industries.