3-Methyl-1-(p-tolyl)-5-pyrazolone

Structural formula

Business number	01X8
Molecular formula	C11H12N2O
Molecular weight	188.23
label	1-(4-methylphenyl)-3-methyl-5-pyrazolinone, 1-Tolyl-3-methyl-5-pyrazolone, 2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one

• 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:86-92-0

MDL number:None

EINECS number:201-708-4

RTECS number:UQ9680000

BRN number:None

PubChem ID:None

Physical property data

1. Physical property data

1. Character: Unsure

2. Density (g/mL,25/4℃): Unsure

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

4. Melting point (ºC):129 °C

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

6. Boiling point (ºC,5.2kPa): Unsure

7. Refractive index: Unsure

8. Flashpoint (ºC): Unsure

9. Specific optical rotation (º): Unsure

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

11. Vapor pressure (kPa,25ºC): Unsure/Log value of the partition coefficient of water) : Unsure

17. Explosion limit (%,V/V): Unsure

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

19. Solubility: Uncertain

Toxicological data

1, acute toxicity:

Rat caliber LD50: 7450mg/kg;

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 55.63

2. Molar volume (m³/mol）：163.6

3. isotonic specific volume (90.2K):413.9

4. Surface Tension (dyne/cm):40.9

5. Polarizability（10^-24cm³):22.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 32.7

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 265

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

ix = o />

1. Molar refractive index: 55.63

2. Molar volume (m³/mol）：163.6

3. isotonic specific volume (90.2K):413.9

4. Surface Tension (dyne/cm):40.9

5. Polarizability（10^-24cm³):22.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.6

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 3

6. Topological molecule polar surface area 32.7

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 265

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 yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet

Number of structural centers: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

None yet

Synthesis method

None yet

Purpose

None yet