Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester

CAS Registry Number®

5400-81-7
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CAS Name

Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester

Molecular Formula

C9H9I2NO2

Molecular Mass

416.98

Cite this Page

Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5400-81-7 (retrieved 2024-04-28) (CAS RN: 5400-81-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H9I2NO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3

InChIKey

InChIKey=IFLWBYIITJOICR-UHFFFAOYSA-N

SMILES

C(OCC)(=O)C1=CC(I)=C(N)C(I)=C1

Canonical SMILES

O=C(OCC)C1=CC(I)=C(N)C(I)=C1

Other Names for this Substance

  • Benzoic acid, 4-amino-3,5-diiodo-, ethyl ester
  • NSC 10390
  • 4-Amino-3,5-diiodobenzoic acid ethyl ester
  • Ethyl 4-amino-3,5-diiodobenzoate

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