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.
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