- InChI
- InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
- InChI Key
- IHJCXVZDYSXXFT-UHFFFAOYSA-N
- Formula
- C6H8ClN3O4S2
- SMILES
-
Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(
=O)=O - Molecular Weight1
- 285.73
- CAS
- 121-30-2
- Other Names
-
- 5-Chloro-2,4-disulfamylaniline
- m-Chloroaniline-4,6-disulfonamide
- 1-Amino-3-chloro-4,6-benzenedisulfonamide
- 1,3-Benzenedisulfonamide, 4-amino-6-chloro-
- m-Benzenedisulfonamide, 4-amino-6-chloro-
- Chloraminophenamide
- Chloroaminophenamide
- Idorese
- Salamid
- Salmid
- Su 5683
- 3-Chloro-4,6-disulfamoylaniline
- 4-Amino-6-chloro-m-benzenedisulfonamide
- 5-Chloro-2,4-disulfamoylaniline
- 4-Amino-6-chloro-1,3-benzenedisulfonamide
- 1,3-Disulfonamide, 4-amino-6-chlorobenzene-
- 4-amino-6-chlorobenzene-1,3-disulphonamide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8454 | Relay (1.0) Calculated Property | |
| ΔfG° | -666.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -551.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.783 | Crippen Calculated Property | |
| McVol | 170.000 | ml/mol | McGowan Calculated Property |
| Pc | 8833.17 | kPa | Joback Calculated Property |
| Tboil | 648.36 | K | Relay (1.0) Calculated Property |
| Tc | 1030.95 | K | Relay (1.0) Calculated Property |
| Tfus | 479.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.587 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.95; 453.44] | J/mol×K | [728.88; 962.82] | 
|
| Cp,gas | 415.95 | J/mol×K | 728.88 | Joback Calculated Property |
| Cp,gas | 424.72 | J/mol×K | 767.87 | Joback Calculated Property |
| Cp,gas | 432.52 | J/mol×K | 806.86 | Joback Calculated Property |
| Cp,gas | 439.32 | J/mol×K | 845.85 | Joback Calculated Property |
| Cp,gas | 445.09 | J/mol×K | 884.84 | Joback Calculated Property |
| Cp,gas | 449.80 | J/mol×K | 923.83 | Joback Calculated Property |
| Cp,gas | 453.44 | J/mol×K | 962.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Amino-6-chlorobenzene-1,3-disulfonamide.
Sources
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