Product Name

  • Name

    2-Amino-4-nitrophenol-6-sulfonic acid

  • EINECS 202-523-1
  • CAS No. 96-67-3
  • Article Data9
  • CAS DataBase
  • Density 1.877 g/cm3
  • Solubility 0.1-0.5 g/100 mL at 21.5 °C
  • Melting Point 285°C
  • Formula C6H6N2O6S
  • Boiling Point 453.78℃
  • Molecular Weight 234.189
  • Flash Point
  • Transport Information
  • Appearance brown powder
  • Safety
  • Risk Codes R36/37/38
  • Molecular Structure Molecular Structure of 96-67-3 (2-Amino-4-nitrophenol-6-sulfonic acid)
  • Hazard Symbols Xi
  • Synonyms 2-Amino-4-nitrophenol-6-sulfonic acid
  • PSA 154.82000
  • LogP 2.31450

Synthetic route

3-amino-2-hydroxy-benzenesulfonic acid
80-79-5

3-amino-2-hydroxy-benzenesulfonic acid

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With sulfuric acid; nitric acid at -5℃;
dipotassium salt of/the/ 4.6-dinitro-phenol-sulfonic acid-(2)

dipotassium salt of/the/ 4.6-dinitro-phenol-sulfonic acid-(2)

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

Conditions
ConditionsYield
With sulfuralkali man scheidet die freie Saeure mit verd. Mineralsaeure ab;
3-amino-2-hydroxy-benzenesulfonic acid
80-79-5

3-amino-2-hydroxy-benzenesulfonic acid

HNO3+H2SO4

HNO3+H2SO4

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

Conditions
ConditionsYield
at -5℃;
2-hydroxy-3-nitro-benzenesulfonic acid
861338-29-6

2-hydroxy-3-nitro-benzenesulfonic acid

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tin; hydrochloric acid
2: HNO3+H2SO4 / -5 °C
View Scheme
5-amino-2-hydroxy-3-nitro-benzenesulfonic acid
6362-52-3

5-amino-2-hydroxy-3-nitro-benzenesulfonic acid

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: durch Diazotieren und Behandeln mit Kupferpulver
2: tin; hydrochloric acid
3: HNO3+H2SO4 / -5 °C
View Scheme
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

1-phenylbutan-1,3-dione
93-91-4

1-phenylbutan-1,3-dione

1-phenyl-2-(2-hydroxy-3-sulfo-5-nitrophenylhydrazo)butane-1,3-dione

1-phenyl-2-(2-hydroxy-3-sulfo-5-nitrophenylhydrazo)butane-1,3-dione

Conditions
ConditionsYield
Stage #1: 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 0 - 5℃; Japp-Klingemann reaction;
Stage #2: 1-phenylbutan-1,3-dione With sodium acetate In ethanol; water Japp-Klingemann reaction; Cooling with ice;		76%
BARBITURIC ACID
67-52-7

BARBITURIC ACID

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

2-hydroxy-5-nitro-3-(2-(2,4,6-trioxotetrahydro-pyrimidin-5(2H)-ylidene)hydrazinyl)benzene sulfonic acid
1389396-43-3

2-hydroxy-5-nitro-3-(2-(2,4,6-trioxotetrahydro-pyrimidin-5(2H)-ylidene)hydrazinyl)benzene sulfonic acid

Conditions
ConditionsYield
Stage #1: 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at -0.16℃;
Stage #2: BARBITURIC ACID In water at -0.16℃; for 1h;		65%
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

3,5-diamino-2-hydroxy-benzenesulfonic acid
13066-93-8

3,5-diamino-2-hydroxy-benzenesulfonic acid

Conditions
ConditionsYield
With hydrogenchloride; tin
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

p-(methylsulfonamido)aniline
53250-82-1

p-(methylsulfonamido)aniline

recorcinol
108-46-3

recorcinol

2-amino-5-nitro-benzenesulfonic acid
96-75-3

2-amino-5-nitro-benzenesulfonic acid

Conditions
ConditionsYield
With sodium nitrite In hydrogenchloride; water
...Expand
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

dimedone
126-81-8

dimedone

3-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-2-hydroxy-5-nitrobenzenesulfonic acid
1417721-45-9

3-(2-(4,4-dimethyl-2,6-dioxocyclohexylidene)hydrazinyl)-2-hydroxy-5-nitrobenzenesulfonic acid

Conditions
ConditionsYield
Stage #1: 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 4.84℃; for 1h; Cooling with ice;
Stage #2: dimedone With sodium acetate In ethanol at -0.16℃; for 1h; Cooling with ice;
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

C6H3N3O6S*K(1+)*Cl(1-)

C6H3N3O6S*K(1+)*Cl(1-)

Conditions
ConditionsYield
Stage #1: 2-hydroxy-3-amino-5-nitrobenzenesulfonic acid With potassium hydroxide In water
Stage #2: With hydrogenchloride; sodium nitrite In water at 0℃; for 1h; Cooling with ice;
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
96-67-3

2-hydroxy-3-amino-5-nitrobenzenesulfonic acid

C6H5N3O6S

C6H5N3O6S

Conditions
ConditionsYield
With hydrogenchloride; sodium nitrite In water at 0℃; for 1h;

2-Amino-4-nitrophenol-6-sulfonic acid Consensus Reports

Reported in EPA TSCA Inventory.

2-Amino-4-nitrophenol-6-sulfonic acid Specification

This chemical is called Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro-, and its IUPAC name is 3-amino-2-hydroxy-5-nitrobenzenesulfonic acid. With the molecular formula of C6H6N2O6S, its classification code is skin / eye irritant. The CAS registry number of this chemical is 96-67-3. Additionally, its product categories are Intermediates of Dyes and Pigments; Organic Acids.

Other characteristics of the Benzenesulfonic acid, 3-amino-2-hydroxy-5-nitro- can be summarised as followings: (1)ACD/LogP: 0.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 8; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 110.04 Å2; (11)Index of Refraction: 1.701; (12)Molar Refractivity: 48.28 cm3; (13)Molar Volume: 124.7 cm3; (14)Polarizability: 19.14×10-24cm3; (15)Surface Tension: 106.1 dyne/cm; (16)Density: 1.877 g/cm3.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(O)c1cc([N+]([O-])=O)cc(N)c1O
2.InChI: InChI=1/C6H6N2O6S/c7-4-1-3(8(10)11)2-5(6(4)9)15(12,13)14/h1-2,9H,7H2,(H,12,13,14)
3.InChIKey: DQIVFTJHYKDOMZ-UHFFFAOYAJ

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