Chloricide chlorbenside

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:103-17-3

MDL number:MFCD00055267

EINECS number:203-084-9

RTECS number:WQ2975000

BRN number:2505694

PubChem ID:None

Physical property data

1. Characteristics: white odorless crystal, industrial product with almond smell.

2. Density (g/mL, 25℃): 1.4210

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

4. Melting point (ºC): 75～76

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

6. Boiling point (ºC, 5mmHg): Undetermined

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7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20ºC): Not determined

12. Saturated vapor pressure ( kPa, 30ºC): 0.16×10-5

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility: Insoluble in water, soluble in most organic solvents .

Toxicological data

Acute toxicity: Rat oral LD50: 2mg/kg; Mouse oral LD50: >3mg/kg; Mouse route unknown LD50: 3mg/kg;

Ecological data

This substance is harmful to the environment and it is recommended not to let it enter the environment. Special attention should be paid to the pollution of water bodies.

Molecular structure data

1. Molar refractive index: 73.760

2. �� Mol volume (cm³/mol): 203.0

3. Isotonic specific volume (90.2K): 544.1

4. Surface tension (dyne/cm ): 51.5

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 29.24

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 5.2

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 25.3

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 194

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

Avoid contact with strong oxidizing agents.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

It is made from sodium p-chlorobenzene sulfonate, chlorosulfonic acid, polyformaldehyde and ethanol.

Purpose

Used as acaricide.