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CAS No.: | 13871-68-6 |
---|---|
Name: | 4-AMINOPHENYLACETIC ACID |
Article Data: | 61 |
Molecular Structure: | |
Formula: | C8H9NO2 |
Molecular Weight: | 151.165 |
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; |
EINECS: | 214-828-7 |
Density: | 1.168g/cm3 |
Melting Point: | 201 °C (dec.)(lit.) |
Boiling Point: | 275.9 °C at 760 mmHg |
Flash Point: | 135.8 °C |
Safety: | 22-24/25 |
PSA: | 63.32000 |
LogP: | 1.47710 |
4-nitrophenol acetate
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% |
p-aminophenyl acetate
Conditions | Yield |
---|---|
With ammonium formate; magnesium In ethylene glycol for 0.0333333h; microwave irradiation; | 93% |
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; |
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. |
4-amino-phenol
2,2'-bipyridyl-6-yl acetate
A
p-aminophenyl acetate
B
4-acetoxyacetanilide
C
<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% |
4-acetoxyacetanilide
A
p-aminophenyl acetate
B
4-acetaminophenol
C
4-amino-phenol
Conditions | Yield |
---|---|
In water at 150 - 200℃; Green chemistry; | A 70% B n/a C n/a |
acetic acid-(4-benzylidenamino-phenyl ester)
p-aminophenyl acetate
sulfuric acid
acetic acid-(4-benzylidenamino-phenyl ester)
A
p-aminophenyl acetate
B
benzaldehyde
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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