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112909

Sigma-Aldrich

Ethyl 4-aminobenzoate

98%

Synonym(s):

Et-PABA, Ethyl p-aminobenzoate

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About This Item

Linear Formula:
H2NC6H4CO2C2H5
CAS Number:
Molecular Weight:
165.19
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.21

Quality Level

assay

98%

form

solid

mp

88-90 °C (lit.)

SMILES string

CCOC(=O)c1ccc(N)cc1

InChI

1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

InChI key

BLFLLBZGZJTVJG-UHFFFAOYSA-N

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General description

Vibrational spectral investigations of ethyl 4-aminobenzoate in solid phase have been reported. It affords an electroactive conducting copolymer with o-anisidine, via an electrochemical synthesis employing cyclic voltammetry.

Application

Ethyl 4-aminobenzoate may be used in the synthesis of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino] benzoate (Schiff base), via reaction with 2-hydroxy-4-methoxybenzaldehyde.

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Skin Sens. 1

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

233.6 °F

flash_point_c

112 °C

ppe

Eyeshields, Gloves, type N95 (US)


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The FT-IR and FT-Raman spectra of ethyl 4-aminobenzoate (EAB) in the solid phase were recorded. The fundamental vibrational wavenumbers, intensities of vibrational bands and the optimized geometrical parameters of the compound were evaluated using DFT (B3LYP) method with 6-311++G(d,p) basis
Elena Pahonțu et al.
Molecules (Basel, Switzerland), 20(4), 5771-5792 (2015-04-08)
A novel Schiff base, ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methylene-amino]benzoate (HL), was prepared and structurally characterized on the basis of elemental analyses, (1)H NMR, (13)C NMR, UV-Vis and IR spectral data. Six new copper(II) complexes, [Cu(L)(NO3)(H2O)2] (1), [Cu(L)2] (2), [Cu(L)(OAc)] (3), [Cu2 (L)2Cl2(H2O)4] (4)
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