CAS No.96-67-3,2-Amino-4-nitrophenol-6-sulfonic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96-67-3
Name:	2-Amino-4-nitrophenol-6-sulfonic acid
Article Data:	9

Formula:	C₆H₆N₂O₆S
Molecular Weight:	234.189
Synonyms:	2-Amino-4-nitrophenol-6-sulfonic acid
EINECS:	202-523-1
Density:	1.877 g/cm³
Melting Point:	285°C
Boiling Point:	453.78℃
Solubility:	0.1-0.5 g/100 mL at 21.5 °C
Appearance:	brown powder
Hazard Symbols:	Xi
Risk Codes:	R36/37/38
PSA:	154.82000
LogP:	2.31450

Synthetic route

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

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

Conditions

Conditions	Yield
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)

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

Conditions

Conditions	Yield
With sulfuralkali man scheidet die freie Saeure mit verd. Mineralsaeure ab;

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

HNO3+H2SO4: HNO3+H2SO4

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

Conditions

Conditions	Yield
at -5℃;

: 861338-29-6
2-hydroxy-3-nitro-benzenesulfonic acid

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

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: tin; hydrochloric acid 2: HNO3+H2SO4 / -5 °C View Scheme

: 6362-52-3
5-amino-2-hydroxy-3-nitro-benzenesulfonic acid

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

Conditions

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

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

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

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

Conditions

Conditions	Yield
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%

: 67-52-7
BARBITURIC ACID

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

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

Conditions

Conditions	Yield
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%

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

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

Conditions

Conditions	Yield
With hydrogenchloride; tin

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

: 53250-82-1
p-(methylsulfonamido)aniline

: 108-46-3
recorcinol

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

Conditions

Conditions	Yield
With sodium nitrite In hydrogenchloride; water

...Expand

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

: 126-81-8
dimedone

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

Conditions

Conditions	Yield
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;

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Consensus Reports

Reported in EPA TSCA Inventory.

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