80-08-0
Product Name:
4,4'-Diaminodiphenylsulfone
Formula:
C12H12N2O2S
Synonyms:
DDS;Dapsone;Bis(4-aminophenyl) sulfone;4,4′-Diaminodiphenyl sulfone;4-Aminophenyl sulfone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 4,4'-sulfonyldianiline appears as odorless white or creamy white crystalline powder. Slightly bitter taste. (NTP, 1992) |
|---|---|
| Color/Form | Crystals from 95% ethanol |
| Odor | Odorless |
| Taste | Slightly bitter taste |
| Melting Point | 347 to 349 °F (NTP, 1992) |
| Flash Point | greater than 320 °F (NTP, 1992) |
| Solubility | >37.2 [ug/mL] (The mean of the results at pH 7.4) |
| Density | 1.33 at 77 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Density | 8.3 (NTP, 1992) - Heavier than air; will sink (Relative to Air) |
| Vapor Pressure | 0.00000003 [mmHg] |
| LogP | 0.97 |
| LogS | -2.82 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits very toxic fumes of /nitrogen and sulfur oxides/. |
| Dissociation Constants | 2.41 |
| Collision Cross Section | 151.7 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Kovats Retention Index | 2880 |
| Other Experimental Properties | Sensitive to oxidation and light |
| Chemical Classes | Plastics & Rubber -> Curing Agents (Aromatic) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H370:Specific target organ toxicity, single exposure H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 248.30 g/mol |
|---|---|
| XLogP3 | 1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 248.06194880 g/mol |
| Monoisotopic Mass | 248.06194880 g/mol |
| Topological Polar Surface Area | 94.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 306 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4,4'-Diaminodiphenylsulphone (DDS), is an antibiotic commonly used in combination with rifampicin and clofazimine for the treatment of leprosy.