2,3-Dichloro-1,4-naphthoquinone

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:117-80-6

MDL number:MFCD00001677

EINECS number:204-210-5

RTECS number:QL7525000

BRN number:1073511

PubChem number:24862118

Physical property data

1. Characteristics: Yellow needle Crystal-like, odorless.

2. Density (g/mL,25℃） : Undetermined

3. Relative vapor density (g/mL,Air=1 ): 7.8

4. Melting point (ºC): 193～195

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

6. Boiling point (ºC, 0.27KPa):275

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17.3, Isotonic specific volume (90.2K):400.9

4, Surface Tension (dyne/cm):55.3

5、 Polarizability (10^-24cm³):20.84

Compute chemical data

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

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 34.1

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 301

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

Stable at room temperature and pressure, avoid contact with strong oxidants and strong alkali.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Obtained from the chlorination of 1,4- naphthoquinone. The chlorination operation is carried out in acetic anhydride or dinitrobenzene or alcohols, phenols, hydrocarbon solvents, and the catalyst is bromine or iron powder and ferric chloride. It can also be prepared from 1, 4- amino naphthalene sulfonic acid diluted in 50% In sulfuric acid solution, using iron as a catalyst, family: 宋体”>℃Obtained by chlorination.

Purpose

Used as agricultural fungicide.

�� and stability

Stable at room temperature and pressure, avoid contact with strong oxidants and strong alkali.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from oxidants, alkalis, and food chemicals, and avoid mixed storage. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

Obtained from the chlorination of 1,4- naphthoquinone. The chlorination operation is carried out in acetic anhydride or dinitrobenzene or alcohols, phenols, hydrocarbon solvents, and the catalyst is bromine or iron powder and ferric chloride. It can also be prepared from 1, 4- amino naphthalene sulfonic acid diluted in 50% In sulfuric acid solution, using iron as a catalyst, family: 宋体”>℃Obtained by chlorination.

Purpose

Used as agricultural fungicide.