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Cas Database |
| Name |
Phenol, 4-amino-,1-acetate |
EINECS | 214-828-7 |
| CAS No. | 13871-68-6 | Density | 1.168g/cm3 |
| PSA | 63.32000 | LogP | 1.47710 |
| Solubility | N/A | Melting Point |
201 °C (dec.)(lit.) |
| Formula | C8H9NO2 | Boiling Point | 275.9 °C at 760 mmHg |
| Molecular Weight | 151.165 | Flash Point | 135.8 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 22-24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenol,4-amino-, acetate (ester) (9CI);Phenol, p-amino-, acetate (6CI,7CI);Phenol,p-amino-, acetate (ester) (8CI);4-Acetoxyaniline;4-Aminophenyl acetate;Acetic acid 4-aminophenyl ester;p-Acetoxyaniline;p-Aminophenyl acetate; |
Article Data | 61 |
Phenol, 4-amino-,1-acetate Synthetic route
- 830-03-5
4-nitrophenol acetate
- 13871-68-6
p-aminophenyl acetate
| Conditions | Yield |
|---|---|
| With hydrogen; 5percent Pd/C In ethyl acetate at 20℃; under 2280.15 Torr; for 4h; | 100% |
| With 1,1,3,3-Tetramethyldisiloxane In ethanol at 20℃; for 0.5h; Inert atmosphere; Sonication; chemoselective reaction; | 99% |
| With hydrogen at 130℃; under 750.075 Torr; for 6h; chemoselective reaction; | 99% |
| Conditions | Yield |
|---|---|
| With 50wtpercent Cs2.5H0.5PW12O40 supported on MCM-41 In acetonitrile at 50℃; for 0.5h; | 94% |
- 13871-68-6
p-aminophenyl acetate
| Conditions | Yield |
|---|---|
| With ammonium formate; magnesium In ethylene glycol for 0.0333333h; microwave irradiation; | 93% |
- 13871-68-6
p-aminophenyl acetate
| Conditions | Yield |
|---|---|
| With aluminium(III) iodide In benzene for 0.166667h; Reduction; Heating; | 92% |
| With hydrazinium monoformate; zinc In methanol at 20℃; for 0.116667h; |
- 13871-68-6
p-aminophenyl acetate
| Conditions | Yield |
|---|---|
| With water at 100℃; for 3h; | 91% |
| sodium hydrogen sulfate; silica gel In dichloromethane for 2h; Heating; | 90% |
| With trifluoroacetic acid In dichloromethane at 20℃; for 2h; Green chemistry; | 84% |
| In water at 125℃; for 2.5h; Green chemistry; | 90 %Chromat. |
- 123-30-8
4-amino-phenol
- 75178-12-0
2,2'-bipyridyl-6-yl acetate
A
- 13871-68-6
p-aminophenyl acetate
B
- 2623-33-8
4-acetoxyacetanilide
C
- 101001-90-5
<2,2'-bipyridin>-6(1H)-one
| Conditions | Yield |
|---|---|
| With cesium fluoride In N,N-dimethyl-formamide for 0.333333h; Product distribution; Ambient temperature; other esters, reagent; | A 84% B 5% C n/a |
| With cesium fluoride In N,N-dimethyl-formamide for 0.333333h; Ambient temperature; | A 84% B 5% C n/a |
| Conditions | Yield |
|---|---|
| CoCl2 In acetonitrile for 2h; Ambient temperature; | 83% |
- 2623-33-8
4-acetoxyacetanilide
A
- 13871-68-6
p-aminophenyl acetate
B
- 103-90-2
4-acetaminophenol
C
- 123-30-8
4-amino-phenol
| Conditions | Yield |
|---|---|
| In water at 150 - 200℃; Green chemistry; | A 70% B n/a C n/a |
- 13031-47-5
acetic acid-(4-benzylidenamino-phenyl ester)
- 13871-68-6
p-aminophenyl acetate
- 7664-93-9
sulfuric acid
- 13031-47-5
acetic acid-(4-benzylidenamino-phenyl ester)
A
- 13871-68-6
p-aminophenyl acetate
B
- 100-52-7
benzaldehyde
Phenol, 4-amino-,1-acetate Specification
The Phenol, 4-amino-,1-acetate, with CAS registry number 13871-68-6, has the systematic name of 4-aminophenyl acetate. Besides this, it is also called 1-Acetoxy-4-aminobenzene. And the chemical formula of this chemical is C8H9NO2. When use this chemical, please do not breathe dust and avoid contact with skin and eyes. What's more, its EINECS is 214-828-7.
Physical properties of Phenol, 4-amino-,1-acetate: (1)ACD/LogP: -0.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.18; (4)ACD/LogD (pH 7.4): -0.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.83; (8)ACD/KOC (pH 7.4): 19.49; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 41.82 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 16.58×10-24cm3; (17)Surface Tension: 44.8 dyne/cm; (18)Density: 1.168 g/cm3; (19)Flash Point: 135.8 °C; (20)Enthalpy of Vaporization: 51.43 kJ/mol; (21)Boiling Point: 275.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00497 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)N)C
(2)InChI: InChI=1/C8H9NO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
(3)InChIKey: QVJWBJWRAPJXNM-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H9NO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,9H2,1H3
(5)Std. InChIKey: QVJWBJWRAPJXNM-UHFFFAOYSA-N
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