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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:69-96-5

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Character: white or light gray crystal.

2. Density (g/mL, 25/4?): Undetermined

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

4. Melting point (ºC): 202~208? (decomposition)

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

6. Boiling point (ºC, normal pressure) 5.2kPa): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation ( º): Not determined

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

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

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

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

14. Critical temperature (ºC): Undetermined Determined

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: Slightly soluble in water , difficult to dissolve in ethanol and ether.

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 47.03

2. Molar volume (cm³/mol): 135.6

3. Isotonic specific volume (90.2K ): 387.2

4. Surface tension (dyne/cm): 66.3

5. Polarizability (10-24cm3): 18.64

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -2.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

p>

4. Number of rotatable chemical bonds: 3

5. Topological molecular polar surface area (TPSA): 83.6

6. Number of heavy atoms: 13

7. Surface charge: 0

8. Complexity: 178

9. Number of isotope atoms: 0

10. Determine the atomic stereocenter Quantity: 0

11,  The number of uncertain atomic stereocenters: 2

12. The number of determined chemical bond stereocenters: 0

13. The number of uncertain chemical bond stereocenters: 0

14. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be kept sealed.

Synthesis method

None

Purpose

Biochemical research. Bacterial growth inhibitor. ?

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