Toluene diisocyanate manufacturer Knowledge Butyl para-aminobenzoate

Butyl para-aminobenzoate

Butyl para-aminobenzoate structural formula

Structural formula

Business number 027F
Molecular formula C11H15NO2
Molecular weight 193.24
label

4-Aminobenzoic acid n-butyl ester,

n-Butyl para-aminobenzoate,

4-Aminobutylbenzoate,

butylamphen,

4-(Butoxycarbonyl)aniline,

4-Amino-benzoic acid butylester,

H2NC6H4CO2(CH2)3CH3

Numbering system

CAS number:94-25-7

MDL number:MFCD00017112

EINECS number:202-317-1

RTECS number:DG1530000

BRN number:1211465

PubChem ID:None

Physical property data

1. Character:White crystalline powder. Tasteless. Boiling it with water will slowly decompose it.


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


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


4. Melting point (ºC):5759


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


6. Boiling point (ºC, 1.07kPa):174


7. Refractive index: Undetermined


8. Flashpoint (ºC): Undetermined


9. Specific rotation (º): Undetermined


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


Water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index:56.16


2. Molar volume (m3/mol):179.1


3. Isotonic specific volume (90.2K): 457.3


4. Surface tension (dyne/cm): 42.4


5. Polarizability10-24cm3):22.26

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: 5

5. Number of tautomers: 3

6. Topological molecule polar surface area 52.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 174

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 The product should be kept sealed.

Synthesis method

para-aminobenzoic acid and n-aminobenzoic acid Butanol is heated to reflux in the presence of concentrated sulfuric acid6h. After the reaction is completed, water is added for steam distillation to recover n-butanol. The distillate is cooled, and crude n-butyl sulfate p-aminobenzoate is precipitated. Dissolve the crude product in hot water, neutralize it with concentrated ammonia, and precipitate n-butyl para-aminobenzoate, yield70-72%.

Purpose

for Organic Synthesis. Medicine (local anesthesia).

amily: Arial; mso-hansi-font-family: Arial”>):22.26

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: 5

5. Number of tautomers: 3

6. Topological molecule polar surface area 52.3

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 174

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 The product should be kept sealed.

Synthesis method

para-aminobenzoic acid and n-aminobenzoic acid Butanol is heated to reflux in the presence of concentrated sulfuric acid6h. After the reaction is completed, water is added for steam distillation to recover n-butanol. The distillate is cooled, and crude n-butyl sulfate p-aminobenzoate is precipitated. Dissolve the crude product in hot water, neutralize it with concentrated ammonia, and precipitate n-butyl para-aminobenzoate, yield70-72%.

Purpose

for Organic Synthesis. Medicine (local anesthesia).

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28433

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