β-Acetylphenylhydrazine β-Acetylphenylhydrazine

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:114-83-0

MDL number:MFCD00008672

EINECS number:204-055-3

RTECS number:AJ2900000

BRN number:742880

PubChem number:24890888

Physical property data

1. Properties: Colorless needle-like crystals. Odorless.

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

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

4. Melting point (ºC): 128-132

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

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

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined 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

15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility: Soluble in hot water and ethanol, difficult to Soluble in ether and cold water.

Toxicological data

1. Acute toxicity: Oral LD5O in mice: 270mg/kg

Intraperitoneal LDLO in mice: 150mg/kg

2. Other multiple dose toxicity: Rats Oral TDLO: 105mg/kg/7D-I

                                                                                                                                                                            Oral TDLO: 112mg/kg/4W-I

                  bsp;         Dog oral TDLO: 28mg/kg/7D-I

3. Tumor-causing: Mouse oral TDLO: 31g/kg/79W-I

4.   Mutagenicity : Salmonella mutation: 333ug/plate

Ecological data

Slightly hazardous to water.

Molecular structure data

1. Molar refractive index: 44.11

2. Molar volume (cm³/mol): 131.3

3. Isotonic specific volume (90.2K ): 338.9

4. Surface tension (dyne/cm): 44.3

5. Polarizability (10^-24cm³): 17.49

Compute chemical data

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

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 41.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 130

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

1. Toxic, avoid contact with oxides.

Storage method

1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants, etc. and avoid mixed storage. Equipped with corresponding varieties and quantities of

fire-fighting equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

Reaction of phenylhydrazine and acetic acid. Heat phenylhydrazine, acetic acid, and water for 6 hours, pour it out while hot, cool to below 0°C, filter to obtain crude product, recrystallize with water, and dry at 80°C.

Purpose

1. Organic synthesis. stabilizer. pharmaceutical industry.