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Cas Database |
| Name |
3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone |
EINECS | 231-428-8 |
| CAS No. | 7545-50-8 | Density | 1.564 g/cm3 |
| PSA | 135.02000 | LogP | 3.33820 |
| Solubility | N/A | Melting Point |
231 °C |
| Formula | C12H12N2O4S | Boiling Point | 596.9 °C at 760 mmHg |
| Molecular Weight | 280.304 | Flash Point | 314.8 °C |
| Transport Information | N/A | Appearance | Baby pink powder |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,2'-Diamino-4,4'-sulfonyldiphenol;4,4'-Sulfonylbis(2-aminophenol);4,4'-Sulfonylbis(o-aminophenol);Bis(3-amino-4-hydroxyphenyl)sulfone;NSC155173; |
Article Data | 10 |
3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone Synthetic route
- 56486-79-4
3,3'-dibromo-4,4'-dihydroxydiphenyl sulfone
- 7545-50-8
3,3'-diamino-4,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| With ammonium hydroxide In 1-methyl-pyrrolidin-2-one at 150℃; Solvent; Temperature; | 98% |
- 7149-20-4
3,3'-dinitro-4,4'-dihydroxydiphenylsulfone
- 7545-50-8
3,3'-diamino-4,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| With palladium 10% on activated carbon; hydrazine hydrate In 1,4-dioxane; ethanol at 95℃; for 24h; Inert atmosphere; | 94% |
| With iron; ammonium chloride In water at 50℃; Concentration; Temperature; Large scale; | 93% |
| With palladium on activated charcoal; ethanol Hydrogenation; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: aqueous H2SO4; HNO3 2: Na2S2O4; aqueous NH3 View Scheme |
- 16346-97-7
bis[3-methyl-4-hydroxyphenyl]sulfone
- 7545-50-8
3,3'-diamino-4,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: KMnO4; aqueous NaOH 2: aqueous H2SO4; HNO3 3: Na2S2O4; aqueous NH3 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: H2SO4 / 180 °C / unter vermindertem Druck 2: KMnO4; aqueous NaOH 3: aqueous H2SO4; HNO3 4: Na2S2O4; aqueous NH3 View Scheme | |
| Multi-step reaction with 4 steps 1: H2SO4 / 180 °C / unter vermindertem Druck 2: KMnO4; aqueous NaOH 3: aqueous H2SO4; HNO3 4: Na2S2O4; aqueous NH3 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: H2SO4 / 200 °C / unter vermindertem Druck 2: aqueous H2SO4; HNO3 3: Na2S2O4; aqueous NH3 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sulfuric acid; potassium nitrate / 3 h / 80 °C 2: sodium hydroxide / dimethyl sulfoxide; water / 2 h / 50 °C 3: palladium 10% on activated carbon; hydrazine hydrate / ethanol; 1,4-dioxane / 24 h / 95 °C / Inert atmosphere View Scheme |
- 75853-45-1
4,4'-sulfonylbis(1-bromo-2-nitrobenzene)
- 7545-50-8
3,3'-diamino-4,4'-dihydroxydiphenyl sulfone
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: sodium hydroxide / dimethyl sulfoxide; water / 2 h / 50 °C 2: palladium 10% on activated carbon; hydrazine hydrate / ethanol; 1,4-dioxane / 24 h / 95 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: trifluorormethanesulfonic acid; dipotassium peroxodisulfate; tetra(n-butyl)ammonium hydrogensulfate; trifluoroacetic anhydride / 1,2-dichloro-ethane / 8 h / 85 °C / Sealed tube 2: sulfuric acid; potassium nitrate / 3 h / 80 °C 3: sodium hydroxide / dimethyl sulfoxide; water / 2 h / 50 °C 4: palladium 10% on activated carbon; hydrazine hydrate / ethanol; 1,4-dioxane / 24 h / 95 °C / Inert atmosphere View Scheme |
| Conditions | Yield |
|---|---|
| Stage #1: 3,3'-diamino-4,4'-dihydroxydiphenyl sulfone; salicylaldehyde In methanol for 0.5h; Stage #2: In methanol for 6h; Reflux; | 83% |
3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone Specification
The 3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone is an organic compound with the formula C12H12N2O4S. The IUPAC name of this product is 2-amino-4-(3-amino-4-hydroxyphenyl)sulfonylphenol . With the CAS registry number 7545-50-8, it is also named as 4,4'-Sulphonylbis(2-aminophenol) ; phenol, 4,4'-sulfonylbis[2-amino- ; Bis(3-amino-4-hydroxyphenyl) sulfone .
The product's categories are diphenyl sulfones (for high-performance polymer research), functional materials and reagent for high-performance polymer research. The 3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone is baby pink powder which is non-toxic. It must be stored at room temperature away from light and isolated from the air. People should not breathe dust and avoid contact with skin and eyes.
The 3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone is a heterocyclic aromatic monomer. In particular, it can be used as monomer in the preparation of special polymer materials PBO. It has excellent mechanical properties and dielectric properties at high temperature. In addition, it has excellent thermal stability nature and excellent fiber and film properties. So it is widely used in aviation and aerospace industries, the textile industry and other areas need to enhance heat resistance.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.03 ; (2)# of Rule of 5 Violations: 1 ; (3)ACD/LogD (pH 5.5): 0.99 ; (4)ACD/LogD (pH 7.4): -0.06 ; (5)ACD/BCF (pH 5.5): 3.25 ; (6)ACD/BCF (pH 7.4): 1 ; (7)ACD/KOC (pH 5.5): 78.53 ; (8)ACD/KOC (pH 7.4): 6.93 ; (9)#H bond acceptors: 6 ; (10)#H bond donors: 6 ; (11)#Freely Rotating Bonds: 6 ; (12)Index of Refraction: 1.717 ; (13)Molar Refractivity: 70.57 cm3 ; (14)Molar Volume: 179.2 cm3 ; (15)Polarizability: 27.97×10-24 cm3 ; (16)Surface Tension: 84.5 dyne/cm ; (17)Enthalpy of Vaporization: 92.2 kJ/mol ; (18)Vapour Pressure: 7.61E-15 mmHg at 25°C ; (19)Rotatable Bond Count: 2 ; (20)Tautomer Count: 9 ; (21)Exact Mass: 280.051778 ; (22)MonoIsotopic Mass: 280.051778 ; (23)Topological Polar Surface Area: 135 ; (24)Heavy Atom Count: 19.
People can use the following data to convert to the molecule structure. SMILES: O=S(=O)(c1ccc(O)c(N)c1)c2ccc(O)c(N)c2; InChI: InChI=1/C12H12N2O4S/c13-9-5-7(1-3-11(9)15)19(17,18)8-2-4-12(16)10(14)6-8/h1-6,15-16H,13-14H2; InChIKey: KECOIASOKMSRFT-UHFFFAOYAO. 3,3'-Diamino-4,4'-dihydroxydiphenyl sulfone has many suppliers, such as Changzhou Sunlight Pharmaceutical Co., Ltd..
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