Polyether_Polyether Polyol Knowledge 3-Methyl-1-(p-tolyl)-5-pyrazolone

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

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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.polyether-factory.com/archives/18583

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