4-Amino-6-chloro-1,3-benzenedisulfonamide 4-Amino-6-chloro-1,3-benzenedisulfonamide

Structural formula

Business number	03DC
Molecular formula	C6H8ClN3O4S2
Molecular weight	285.73
label	4-amino-6-chloro-1,3-benzenedisulfonamide, 4-amino-6-chloro-1,3-disulfonamide, 5-Chloro-2,4-diaminosulfonamideaniline, 5-Chloro-2,4-disulfonamidoaniline, Spermine sulfonamide, clomifenamide, 4-Amino-6-chloro-3-benzenedisulfonamide, 5-Chloro-2,4-bis(sulfonamido)aniline, LABOTEST-BB LT00261357, Chloraminophenamide, 3-Chloro-4,6-disulfamoylaniline, 4-Amino-6-chlorobenzene-1,3-disulfonamide, aromatic compounds

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:121-30-2

MDL number:MFCD00007933

EINECS number:204-463-1

RTECS number:None

BRN number:1083877

PubChem number:24858677

Physical property data

1. Character:Crystal

2. Melting point (℃):257-261

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 60.07

2. Molar volume（m³/ mol）：161.5

3. isotonic ratio（90.2K）：485.7

4. Surface Tension（dyne/cm）：81.6

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 23.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 163

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 451

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

1. Basic properties

Crystallization. Melting point 251-252℃ (257-261℃). Slightly soluble in water.

Storage method

Synthesis method

2. Brief description of production methods

Meta-chloroaniline is obtained by chlorosulfonation with chlorosulfonic acid and liquid chloramination.

Purpose

3. Purpose

Intermediates of the drug hydrochlorothiazide.

o-bidi-font-family: Arial”>（dyne/cm ）：81.6

5. Dielectric constant:

6. Dipole moment（10 ^-24cm³)：

7. Polarizability: 23.81

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): -0.5

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 7

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 163

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 451

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

1. Basic properties

Crystallization. Melting point 251-252℃ (257-261℃). Slightly soluble in water.

Storage method

Synthesis method

2. Brief description of production methods

Meta-chloroaniline is obtained by chlorosulfonation with chlorosulfonic acid and liquid chloramination.

Purpose

3. Purpose

Intermediates of the drug hydrochlorothiazide.