Benzoic acid, 4-chloro-3-nitro-, ethyl ester

CAS Registry Number®

16588-16-2

CAS Name

Benzoic acid, 4-chloro-3-nitro-, ethyl ester

Molecular Formula

C9H8ClNO4

Molecular Mass

229.62

Cite this Page

Benzoic acid, 4-chloro-3-nitro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16588-16-2 (retrieved 2024-11-24) (CAS RN: 16588-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    60-61 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H8ClNO4/c1-2-15-9(12)6-3-4-7(10)8(5-6)11(13)14/h3-5H,2H2,1H3

InChIKey

InChIKey=BLNLZRQIUGDTAO-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=CC(C(OCC)=O)=CC=C1Cl

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-chloro-3-nitro-, ethyl ester
  • Ethyl 4-chloro-3-nitrobenzoate
  • 4-Chloro-3-nitrobenzoic acid ethyl ester

CAS INSIGHTSTM
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