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

3-methyl-1-(p-tolyl)-5-pyrazolinone structural formula

3-methyl-1-(p-tolyl)-5-pyrazolinone structural formula

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

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. Polarizability10-24cm3):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

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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. Polarizability10-24cm3):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

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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