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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:73-40-5

MDL number:MFCD00071533

EINECS number:200-799-8

RTECS number:MF8260000

BRN number:9680

PubChem number:24895274

Physical property data

1. Appearance: White square crystal or amorphous powder

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

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

4. Melting point (ºC): >300 (lit.)

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

6. Boiling point (ºC, 5.2 kPa): Uncertain

7. Refractive index: Uncertain

8. Flash point (ºC): Uncertain

9. Specific rotation (º): Uncertain

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

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

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. Oil-water (octanol/water) distribution Log value of coefficient: Uncertain

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

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

19. Solubility: Soluble in ammonia, potassium hydroxide aqueous solution, dilute acids, slightly soluble in alcohol and ether, almost insoluble in water.

Toxicological data

Acute toxicity: mouse oral LC: >3333 mg/kg; mouse intraperitoneal LC: >1 mg/kg; tumorigenicity: rat subcutaneous injection of TDLo: 1300 mg/kg/26W-I;

mutagenicity: human Lymphocyte sex chromosome non-disjunction loss and testing system: 10 mg/L; mouse peritoneal cytogenetic analysis: 15 mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 35.46

2. Molar volume (cm³/mol): 68.8

3. Isotonic specific volume (90.2K ): 229.6

4. Surface tension (dyne/cm): 124.0

5. Polarizability (10^-24cm³): 14.06

Compute chemical data

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

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 26

6. Topological molecule polar surface area 96.2

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 225

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

Synthesis method

None

Purpose

1. It is a natural white pigment and is non-toxic. It can be used in general cosmetics, mainly used as pearlescent agent in lipstick, nail polish and eye cosmetics.

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