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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:72-55-9

MDL number:MFCD00003284

EINECS number:200-679-5

RTECS number:KV9450000

BRN number:1913355

PubChem number:24847587

Physical property data

1. Character: white crystal

2. Density (g/mL, 25/4℃): Uncertain

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

4. Melting point (ºC): 88-90

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

6 . Boiling point (ºC1.01kPa): 316.5

7. Refractive index: Uncertain

8. Flash point (ºC): 11

9. Specific rotation Degree (º): Uncertain

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

11. Vapor pressure (kPa, 25 ºC): Uncertain

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

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

14. Critical temperature ( ºC): Uncertain

15. Critical pressure (KPa): Uncertain

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

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

18. Explosion lower limit (%, V/V): Uncertain

19. Solubility: Soluble in most organic solvents

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 79.88

2. Molar volume (cm³/mol): 226.8

3. Isotonic specific volume (90.2K ): 589.8

4. Surface tension (dyne/cm): 45.7

5. Polarizability (10^-24cm³): 31.66

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 0

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: None

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 18

8. Surface charge :0

9. Complexity: 269

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

This product should be sealed, cool, dry and protected from light.

Synthesis method

None

Purpose

Organic synthesis. Pesticide residue analysis standards.

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