Toluene diisocyanate manufacturer Knowledge 2-Amino-5-chlorobenzenesulfonic acid

2-Amino-5-chlorobenzenesulfonic acid

2-amino-5-chlorobenzenesulfonic acid structural formula

Structural formula

Business number 03P7
Molecular formula C6H6ClNO3S
Molecular weight 207.63
label

5-Chloroorthanilic acid,

4-Chloroaniline-2-sulfonic acid,

aromatic compounds

Numbering system

CAS number:133-74-4

MDL number:None

EINECS number:205-119-3

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

None yet

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:


1 Molar refractive index45.54


2, Molar volumem3/mol):126.4


3, Isotonic specific volume90.2K):365.3


4, Surface tension3.0 dyne/cm SPAN>): 69.7


5, Polarizability 0.5 10-24cm3): 18.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 88.8

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 248

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

Obtained from the sulfonation of p-chloroaniline: slowly drop 100% sulfuric acid into p-chloroaniline and the solvent diphenyl sulfone, and react violently to generate 4-chloroaniline-2-sulfonic acid and water. When the water was evaporated, the reaction mixture turned into bright purple crystals. Continue heating under reduced pressure for 7 hours, cool the melt, dissolve in heated water, filter out the diphenyl sulfone in the solution, and cool to obtain white needle crystals. Filter, wash and dry to obtain the finished product. The yield is 94%.

Purpose

Used as an intermediate in organic synthesis.

ng=EN-US style=”FONT-SIZE: 9pt; FONT-FAMILY: Arial; mso-font-kerning: 0pt”>18.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.2

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: none

6. Topological molecule polar surface area 88.8

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 248

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

Obtained from the sulfonation of p-chloroaniline: slowly drop 100% sulfuric acid into p-chloroaniline and the solvent diphenyl sulfone, and react violently to generate 4-chloroaniline-2-sulfonic acid and water. When the water was evaporated, the reaction mixture turned into bright purple crystals. Continue heating under reduced pressure for 7 hours, cool the melt, dissolve in heated water, filter out the diphenyl sulfone in the solution, and cool to obtain white needle crystals. Filter, wash and dry to obtain the finished product. The yield is 94%.

Purpose

Used as an intermediate in organic synthesis.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/27396

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