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
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.
