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CAS No.: | 91-30-5 |
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Name: | 4-Aminodiphenyamine-2-sulfonic acid |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C12H12N2O3S |
Molecular Weight: | 264.305 |
Synonyms: | 4-Amino-2-sulfodiphenylamine;5-Amino-2-anilinobenzenesulfonic acid;6-Anilinometanilic acid;Metanilic acid, 6-anilino-;N-Phenyl-p-phenylenediaminesulfonic acid;Benzenesulfonic acid, 5-amino-2-anilino- (8CI);AC1Q6WVT; |
EINECS: | 202-058-4 |
Density: | 1.464 g/cm3 |
Boiling Point: | 469.1℃[at 101 325 Pa] |
Solubility: | 2.71g/L at 25℃ |
Hazard Symbols: | T,N |
Risk Codes: | R22; R23; R50/53 |
PSA: | 100.80000 |
LogP: | 3.99410 |
Conditions | Yield |
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With sodium sulfite | |
With sodium hydroxide; sodium sulfite Ansaeuern der Loesung; |
Conditions | Yield |
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With hydrogenchloride; iron | |
With hydrogenchloride; iron |
4-aminodiphenylamine-2-sulfonic acid
Conditions | Yield |
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With barium dihydroxide; iron(II) sulfate |
4-aminodiphenylamine-2-sulfonic acid
Conditions | Yield |
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With water; zinc | |
With water; zinc |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: glycerol; calcium carbonate / 180 - 185 °C 2: iron powder; hydrochloric acid View Scheme |
Conditions | Yield |
---|---|
Stage #1: 4-aminodiphenylamine-2-sulfonic acid With sodium carbonate In water at 0 - 5℃; Stage #2: With hydrogenchloride; sodium nitrite In water at 0 - 5℃; for 0.833333h; Stage #3: 4-hydroxy-1-methyl-2(1H)-quinolone With sodium hydroxide at 0 - 5℃; for 4h; pH=6 - 7; | 74.9% |
Conditions | Yield |
---|---|
With recombinant CotA-laccase from Bacillus subtilis In methanol; aq. phosphate buffer at 37℃; for 24h; pH=6; Kinetics; Green chemistry; Enzymatic reaction; | A 70% B 27% |
1-amino-4-bromo-2-(hydroxymethyl)anthraquinone
4-aminodiphenylamine-2-sulfonic acid
Conditions | Yield |
---|---|
With potassium acetate; copper diacetate at 95℃; for 0.583333h; Ullmann Condensation; Microwave irradiation; | 57% |
1-Amino-4-bromoanthraquinone-2-carboxylic acid
4-aminodiphenylamine-2-sulfonic acid
sodium 1-amino-4-[4-phenylamino-3-carboxyphenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate
Conditions | Yield |
---|---|
With copper at 120℃; for 0.0833333h; Ullmann reaction; aq. phosphate buffer; Microwave irradiation; | 55% |
1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
4-aminodiphenylamine-2-sulfonic acid
Conditions | Yield |
---|---|
With copper at 120℃; for 0.0833333h; Ullmann reaction; aq. phosphate buffer; Microwave irradiation; | 46% |
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The Benzenesulfonic acid,5-amino-2-(phenylamino)- with CAS registry number of 91-30-5 is also known as 4-Amino-2-sulfodiphenylamine. The IUPAC name is 5-Amino-2-anilinobenzenesulfonic acid. It belongs to product categories of Intermediates of Dyes and Pigments. Its EINECS registry number is 202-058-4. In addition, the formula is C12H12N2O3S and the molecular weight is 264.30. This chemical is a off-white solid and should be stored in sealed containers in dark place.
Physical properties about Benzenesulfonic acid,5-amino-2-(phenylamino)- are: (1)ACD/LogP: 0.20; (2)ACD/LogD (pH 5.5): -3.07; (3)ACD/LogD (pH 7.4): -3.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.69; (12)Molar Refractivity: 69.07 cm3; (13)Molar Volume: 180.5 cm3; (14)Surface Tension: 73.4 dyne/cm; (15)Density: 1.464 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES: O=S(=O)(O)c2cc(ccc2Nc1ccccc1)N
2. InChI: InChI=1/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)
3. InChIKey: HYLOSPCJTPLXSF-UHFFFAOYAG
4. Std. InChI: InChI=1S/C12H12N2O3S/c13-9-6-7-11(12(8-9)18(15,16)17)14-10-4-2-1-3-5-10/h1-8,14H,13H2,(H,15,16,17)
5. Std. InChIKey: HYLOSPCJTPLXSF-UHFFFAOYSA-N