BDMAEE

Structural formula

Business number	02KH
Molecular formula	C6H2Cl3NO
Molecular weight	210.45
label	2,6-Dichloro-4-(chloroimine)-2,5-cyclohexadien-1-one, 2,6-Dichlorobenzoquinone-4-chloroimide, N,2,6-Trichloro-p-benzoquinoneimide, Gibb’s reagent

• 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:101-38-2

MDL number:MFCD00001611

EINECS number:202-937-2

RTECS number:GU5470000

BRN number:2364249

PubChem number:24894032

Physical property data

1. Properties: yellow needle-like crystals

2. Density (g/mL, 20℃): Undetermined

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

4. Melting point (ºC): 63-67

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

6 . Boiling point (ºC, KPa): Not determined

7. Refractive index: Undetermined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Not determined

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

11. Vapor pressure (mmHg, 25ºC): Not determined

12. Saturated vapor pressure (kPa, 25ºC): Undetermined

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. Explosion lower limit (%, V/V): Undetermined

19. Solubility: Soluble in ether and chloroform.

Toxicological data

Acute toxicity: Rat oral LD: >500mg/kg; Mouse peritoneal cavity LD25: 20mg/kg; Mouse intravenous injection LD50: 56mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 45.35

2. Molar volume (cm³/mol): 130.4

3. Isotonic specific volume (90.2K ): 343.1

4. Surface tension (dyne/cm): 47.9

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 17.97

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.9

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 29.4

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 266

10. Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

Prepared by oxidizing 2,6-dichloro-p-aminophenol with hypochlorous acid.

Purpose

Used to identify phenol, para-substituted phenol and para-substituted alkoxyphenol.