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:75-17-2

MDL number:MFCD00058969

EINECS number:200-845-7

RTECS number:LP9720000

BRN number:None

PubChem ID:None

Physical property data

1. Characteristics: pure product with extremely strong refractive index Colorless liquid.

2. Density (g/mL,25/4℃)：1． 035

3. Relative vapor density (g/mL,AIR=1): Unsure

4. Melting point (ºC): Unsure

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

6. Boiling point (ºC,5.2kPa): Unsure

7. fold�Rate: Uncertain

8. Flash Point (ºC): 25

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure

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

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

14. Critical temperature (ºC): Unsure

15. Critical pressure (KPa): Unsure

16. Oil and water (octanol/Log value of the partition coefficient (water): Uncertain

17. Explosion limit (%,V/V): Not sure

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

19. Solubility: soluble in water and acid. Can become a water-insoluble polymer at room temperature.

Toxicological data

1, teratogenicity

E. coli: 10umol/plate

Ecological data

None

Molecular structure data

1. Molar refractive index:10.86

2. Molar volume (m³/mol）：48.4

3. isotonic specific volume (90.2K):110.8

4. Surface Tension (dyne/cm):27.4

5. Polarizability（10^-24cm³): 4.30

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 2

6. Topological molecule polar surface area 32.6

7. Number of heavy atoms: 3

8. Surface charge: 0

9. Complexity: 12.3

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

None

Storage method

This product should be kept sealed. Not suitable for long-term storage.

Synthesis method

None

Purpose

Used for determination of manganese, copper, nickel, cobalt and iron, etc.

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