Benzanilide Benzanilide

Benzanilide structural formula

Structural formula

Business number 026Z
Molecular formula C13H11NO
Molecular weight 197.23
label

N-phenylbenzamide,

benzoanilide,

N-benzoylanilide,

N-phenylinide,

Benzoic acid anilide,

N-Phenylbenzamide,

C6H5CONHC6H5

Numbering system

CAS number:93-98-1

MDL number:MFCD00003069

EINECS number:202-292-7

RTECS number:None

BRN number:1102980

PubChem number:24846656

Physical property data

1. Character:Colorless or white flaky crystals or powder. Can be sublimated. Does not decompose during distillation.


2. Density (g/mL, 25/4):1.315


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


4. Melting point (ºC):163


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


6. Boiling point (ºC,1.33kPa ):117-119


7. Refractive Index: Undetermined


8. Flash point (ºC): Undetermined


9. Specific optical rotation (º): Undetermined


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


Product soluble in7mlBoiling ethanol,60ml Cold ethanol. Slightly soluble in ether, insoluble in water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index:60.82


2. Molar volume (m3/ mol):168.3


3. Isotonic specific volume (90.2K): 446.8


4. Surface tension (dyne/cm): 49.7


5. Polarizability10-24cm3):24.11

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: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 29.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 203

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

This product should be kept sealed.

Synthesis method

Derived from the reaction of aniline and benzoic acid. React dry benzoic acid and freshly steamed aniline at 180-190°C for 2 hours, then increase the temperature to 225°C. At the beginning, water is distilled off during the reaction, then aniline is distilled off, and finally all the fractions are distilled off. The fractions evaporated after 255°C are cooled, solidified, and ground to obtain a purple-grey crude product. The crude product is washed with dilute hydrochloric acid to remove remaining aniline, washed with water and then added with sodium hydroxide solution to remove remaining benzoic acid. Finally, wash with water, filter, dry, and recrystallize with ethanol to obtain a refined finished product.

Purpose

Dye, fragrance and pharmaceutical intermediates.  

>Polarizability10-24cm3):24.11

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: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 2

6. Topological molecule polar surface area 29.1

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 203

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

This product should be kept sealed.

Synthesis method

Derived from the reaction of aniline and benzoic acid. React dry benzoic acid and freshly steamed aniline at 180-190°C for 2 hours, then increase the temperature to 225°C. At the beginning, water is distilled off during the reaction, then aniline is distilled off, and finally all the fractions are distilled off. The fractions evaporated after 255°C are cooled, solidified, and ground to obtain a purple-grey crude product. The crude product is washed with dilute hydrochloric acid to remove remaining aniline, washed with water and then added with sodium hydroxide solution to remove remaining benzoic acid. Finally, wash with water, filter, dry, and recrystallize with ethanol to obtain a refined finished product.

Purpose

Dye, fragrance and pharmaceutical intermediates.  

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/22783

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