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Cas Database |
| Name |
O-(4-Nitrophenyl)hydroxylamine |
EINECS | 608-888-7 |
| CAS No. | 33543-55-4 | Density | 1.371 g/cm3 |
| PSA | 81.07000 | LogP | 2.07080 |
| Solubility | N/A | Melting Point |
126-127℃ |
| Formula | C6H6N2O3 | Boiling Point | 313.246 °C at 760 mmHg |
| Molecular Weight | 154.125 | Flash Point | 143.246 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Hydroxylamine,O-(p-nitrophenyl)- (8CI);O-(4-Nitrophenyl)hydroxylamine;O-(p-Nitrophenyl)hydroxylamine;p-Nitrophenoxyamine; |
Article Data | 18 |
O-(4-Nitrophenyl)hydroxylamine Synthetic route
- 83077-00-3
ethyl O-(4-nitrophenyl)acetohydroxamate
- 33543-55-4
p-nitrophenoxyamine
| Conditions | Yield |
|---|---|
| Stage #1: ethyl O-(4-nitrophenyl)acetohydroxamate With hydrogenchloride; water at 25 - 32℃; for 1h; Stage #2: With sodium hydroxide In water at 33℃; Product distribution / selectivity; | 99.9% |
| Stage #1: ethyl O-(4-nitrophenyl)acetohydroxamate With hydrogenchloride; water at 25 - 32℃; for 1.83333h; Stage #2: With sodium hydroxide In water at 33℃; | 99.9% |
| Stage #1: ethyl O-(4-nitrophenyl)acetohydroxamate With hydrogenchloride; water In acetonitrile at 25 - 30℃; for 2h; Stage #2: With sodium hydroxide In water; acetonitrile | 94% |
- 100-02-7
4-nitro-phenol
- 344266-15-5
O-(p-nitrophenyl)benzohydroximoyl chloride
A
- 33543-55-4
p-nitrophenoxyamine
B
- 959-22-8
p-nitrophenylbenzoate
| Conditions | Yield |
|---|---|
| With antimonypentachloride In benzene at 180℃; for 5h; | A 73% B 80 % Chromat. |
- 33543-55-4
p-nitrophenoxyamine
| Conditions | Yield |
|---|---|
| With hydrazine hydrate In dichloromethane Substitution; Heating; | 72% |
- 33543-55-4
p-nitrophenoxyamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 20℃; for 2.83333h; Sonication; | 72% |
- 100-02-7
4-nitro-phenol
- 33543-55-4
p-nitrophenoxyamine
| Conditions | Yield |
|---|---|
| Stage #1: 4-nitro-phenol With potassium tert-butylate In methanol Stage #2: With mesitylenesulfonylhydroxylamine In N,N-dimethyl-formamide at 0℃; for 0.5h; | 57% |
| Stage #1: 4-nitro-phenol With sodium methylate In methanol at 20℃; for 0.5h; Inert atmosphere; Stage #2: With mesitylenesulfonylhydroxylamine In dichloromethane at 0℃; for 1h; Inert atmosphere; Cooling with ice; |
- 350-46-9
4-Fluoronitrobenzene
- 33543-55-4
p-nitrophenoxyamine
| Conditions | Yield |
|---|---|
| Stage #1: 4-Fluoronitrobenzene With tert-Butyl N-hydroxycarbamate; potassium hydroxide In ethanol at 23 - 60℃; for 72h; Inert atmosphere; Stage #2: With trifluoroacetic acid In 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran at 23℃; | 52% |
| Multi-step reaction with 2 steps 1: 92 percent / K2CO3 / dimethylformamide / 50 °C 2: 72 percent / hydazine monohydrate / CH2Cl2 / Heating View Scheme | |
| Multi-step reaction with 2 steps 1: 53 percent / potassium hydroxide / ethanol / 6 h / Ambient temperature 2: 41 percent / trifluoromethanesulfonic acid / dioxane; H2O / 4 h / Ambient temperature View Scheme |
- 83077-00-3
ethyl O-(4-nitrophenyl)acetohydroxamate
A
- 100-02-7
4-nitro-phenol
B
- 33543-55-4
p-nitrophenoxyamine
| Conditions | Yield |
|---|---|
| With hydrogenchloride; water at 20℃; for 2.33333h; Sonication; | A n/a B 50% |
A
- 100-02-7
4-nitro-phenol
B
- 33543-55-4
p-nitrophenoxyamine
C
- 959-22-8
p-nitrophenylbenzoate
D
- 891-43-0
5-nitro-2-phenylbenzo[d]oxazole
| Conditions | Yield |
|---|---|
| With benzonitrile at 180℃; for 72h; | A 26.5% B n/a C 13% D 35% |
- 100-47-0
benzonitrile
A
- 100-02-7
4-nitro-phenol
B
- 33543-55-4
p-nitrophenoxyamine
C
- 959-22-8
p-nitrophenylbenzoate
D
- 891-43-0
5-nitro-2-phenylbenzo[d]oxazole
| Conditions | Yield |
|---|---|
| at 180℃; for 72h; Further byproducts given; | A 26.5% B n/a C 13% D 35% |
- 100-47-0
benzonitrile
A
- 33543-55-4
p-nitrophenoxyamine
B
- 959-22-8
p-nitrophenylbenzoate
C
- 891-43-0
5-nitro-2-phenylbenzo[d]oxazole
D
- 55-21-0
benzamide
| Conditions | Yield |
|---|---|
| at 180℃; for 72h; Further byproducts given; | A n/a B 13% C 35% D 0.032 g |
O-(4-Nitrophenyl)hydroxylamine Specification
The O-(4-Nitrophenyl)hydroxylamine, with the CAS registry number 33543-55-4, is also known as 1-(Aminooxy)-4-nitrobenzene. This chemical's molecular formula is C6H6N2O3 and molecular weight is 154.124. Its systematic name is called O-(4-nitrophenyl)hydroxylamine.
Physical properties of O-(4-Nitrophenyl)hydroxylamine: (1)ACD/LogP: 1.27; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 201; (7)ACD/KOC (pH 7.4): 201; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 38.379 cm3; (13)Molar Volume: 112.448 cm3; (14)Surface Tension: 56.782 dyne/cm; (15)Density: 1.371 g/cm3; (16)Flash Point: 143.246 °C; (17)Enthalpy of Vaporization: 55.431 kJ/mol; (18)Boiling Point: 313.246 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: NOc1ccc(cc1)N(=O)=O
(2)InChI: InChI=1/C6H6N2O3/c7-11-6-3-1-5(2-4-6)8(9)10/h1-4H,7H2
(3)InChIKey: OOHKBWPOLBTKMR-UHFFFAOYAY
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