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91-30-5

Basic Information
CAS No.: 91-30-5
Name: 4-Aminodiphenyamine-2-sulfonic acid
Article Data: 6
Molecular Structure:
Molecular Structure of 91-30-5 (4-Aminodiphenyamine-2-sulfonic acid)
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
Synthetic route
156-10-5

p-nitrosodiphenylamine

91-30-5

4-aminodiphenylamine-2-sulfonic acid

Conditions
ConditionsYield
With sodium sulfite
With sodium hydroxide; sodium sulfite Ansaeuern der Loesung;
88-35-7

2-anilino-5-nitro-benzenesulfonic acid

91-30-5

4-aminodiphenylamine-2-sulfonic acid

Conditions
ConditionsYield
With hydrogenchloride; iron
With hydrogenchloride; iron
barium salt of/the/ 4-nitro-diphenylamine-sulfonic acid-(2)

barium salt of/the/ 4-nitro-diphenylamine-sulfonic acid-(2)

91-30-5

4-aminodiphenylamine-2-sulfonic acid

Conditions
ConditionsYield
With barium dihydroxide; iron(II) sulfate
sodium salt of/the/ 4-nitro-diphenylamine-sulfonic acid-(2)

sodium salt of/the/ 4-nitro-diphenylamine-sulfonic acid-(2)

91-30-5

4-aminodiphenylamine-2-sulfonic acid

Conditions
ConditionsYield
With water; zinc
With water; zinc
62-53-3

aniline

91-30-5

4-aminodiphenylamine-2-sulfonic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: glycerol; calcium carbonate / 180 - 185 °C
2: iron powder; hydrochloric acid
View Scheme
1677-46-9

4-hydroxy-1-methyl-2(1H)-quinolone

91-30-5

4-aminodiphenylamine-2-sulfonic acid

(E)-5-((4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-yl)diazenyl)2(phenylamino)benzenesulfonic acid

Conditions
ConditionsYield
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%
91-30-5

4-aminodiphenylamine-2-sulfonic acid

A

C24H18N4O6S2

B

C24H20N4O6S2

Conditions
ConditionsYield
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%
24094-46-0

1-amino-4-bromo-2-(hydroxymethyl)anthraquinone

91-30-5

4-aminodiphenylamine-2-sulfonic acid

C27H21N3O6S

Conditions
ConditionsYield
With potassium acetate; copper diacetate at 95℃; for 0.583333h; Ullmann Condensation; Microwave irradiation;57%
6363-90-2

1-Amino-4-bromoanthraquinone-2-carboxylic acid

91-30-5

4-aminodiphenylamine-2-sulfonic acid

1052087-99-6

sodium 1-amino-4-[4-phenylamino-3-carboxyphenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Conditions
ConditionsYield
With copper at 120℃; for 0.0833333h; Ullmann reaction; aq. phosphate buffer; Microwave irradiation;55%
116-81-4

1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid

91-30-5

4-aminodiphenylamine-2-sulfonic acid

disodium 1-amino-4-[4-phenylamino-3-sulfophenylamino]-9,10-dioxo-9,10-dihydroanthracene-2-sulfonate

Conditions
ConditionsYield
With copper at 120℃; for 0.0833333h; Ullmann reaction; aq. phosphate buffer; Microwave irradiation;46%
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  • 4-Aminodiphenyamine-2-sulfonic acid cas  91-30-5

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Specification

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