4-Chloro-3,5-xylenol

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:88-04-0

MDL number:MFCD00002324

EINECS number:201-793-8

RTECS number:ZE6850000

BRN number:1862539

PubChem number:24854638

Physical property data

1. Characteristics: Colorless needle-like crystals with phenol smell.

2. Melting point (ºC): 155.5

3. Boiling point (ºC, normal pressure): 246

4. Solubility: insoluble in water, soluble in water Soluble in alkali solutions and organic solvents.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 42.67

2. Molar volume (cm³/mol): 132.3

3. Isotonic specific volume (90.2K ): 333.4

4. Surface tension (dyne/cm): 40.2

5. Polarizability (10-24cm3): 16.91

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: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 10

8. Surface charge: 0

9. Complexity: 104

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

1. It has the ability to inhibit molds, bacteria, and yeasts. It has stronger sterilizing power against bacteria than molds. It has special effects on Staphylococcus and Streptococcus and is effective against Aerobacilli. The inhibitory content is 0.05%, but it is almost ineffective against Pseudomonas. The complete inhibitory content against Aspergillus niger is 0.3%, and against Penicillium chrysanthemum 0.1%. The inhibitory ability against Aspergillus flavus is poor.

Storage method

Store in a cool and dry place.

Synthesis method

1. Reaction of 3,5-Dimethylphenol and dichlorosulfonyl It can also be obtained by reacting 3,5-dimethylphenol with chlorine through zinc catalysis.

Purpose

1. Used as antifungal preservative in emulsions, cosmetics, leather, ink, plywood, etc., and commonly used as skin disinfectant in medicine.