Toluene diisocyanate manufacturer Knowledge p-Toluoylphthalate 2-(4-Methylbenzoyl)benzoic Acid

p-Toluoylphthalate 2-(4-Methylbenzoyl)benzoic Acid

Structural formula of p-toluoyl phthalate

Structural formula

Business number 01VZ
Molecular formula C15H12O3
Molecular weight 240.25
label

2-(4-methylbenzoyl)benzoic acid,

2-(p-Toluoyl)benzoic acid,

p-Toluoylphthalate,

2-(p-Toluoyl)benzoic acid,

2-(4-Toluoyl)benzoic acid,

2-(4-Toluoyl)benzoic acid,

CH3C6H4COC6H4CO2H

Numbering system

CAS number:85-55-2

MDL number:MFCD00020287

EINECS number:201-614-3

RTECS number:None

BRN number:2111078

PubChem ID:None

Physical property data

1. Physical property data


1. Character:Those containing one molecule of crystal water are prismatic crystals with a sweet taste,100becomes anhydrous


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


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


4. Melting point (ºC):146 (anhydrous substance).


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


KPa): Unsure


16. Oil and water (octanol/Log value of water) partition coefficient: Uncertain


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


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


19. Solubility:Easily soluble in ethanol, benzene, ether, acetone and boiling toluene, slightly soluble in boiling water

Toxicological data

None yet

Ecological data

None yet

Molecular structure data


5. Molecular property data:


1. Molar refractive index: 67.80


2. Molar volume (m3/mol):196.3


3. isotonic specific volume (90.2K):526.6


4. Surface Tension (dyne/cm):51.7


5. Polarizability10-24cm3):26.87

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 4

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 316

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

anguage: ZH-CN; mso-bidi-language: AR-SA”>

5. Molecular property data:


1. Molar refractive index: 67.80


2. Molar volume (m3/mol):196.3


3. isotonic specific volume (90.2K):526.6


4. Surface Tension (dyne/cm):51.7


5. Polarizability10-24cm3):26.87

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 4

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 316

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

N-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial”>26.87

Compute chemical data

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

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 4

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 316

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

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/24890

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