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Cas Database |
| Name |
2-Amino-4-nitrophenol-6-sulfonic acid |
EINECS | 202-523-1 |
| CAS No. | 96-67-3 | Density | 1.877 g/cm3 |
| PSA | 154.82000 | LogP | 2.31450 |
| 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 | N/A |
| Transport Information | N/A | Appearance | brown powder |
| Safety | Risk Codes | R36/37/38 | |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-Amino-4-nitrophenol-6-sulfonic acid |
Article Data | 9 |
2-Amino-4-nitrophenol-6-sulfonic acid Synthetic route
| Conditions | Yield |
|---|---|
| With sulfuric acid; nitric acid at -5℃; |
- 96-67-3
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
| Conditions | Yield |
|---|---|
| With sulfuralkali man scheidet die freie Saeure mit verd. Mineralsaeure ab; |
| Conditions | Yield |
|---|---|
| at -5℃; |
- 861338-29-6
2-hydroxy-3-nitro-benzenesulfonic acid
- 96-67-3
2-hydroxy-3-amino-5-nitrobenzenesulfonic acid
| 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 | 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 |
| 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 | 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 | 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 | Yield |
|---|---|
| With sodium nitrite In hydrogenchloride; water |
- 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 | 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; |
2-Amino-4-nitrophenol-6-sulfonic acid Consensus Reports
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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