Benzoic acid, 3-nitro-, ethyl ester

CAS Registry Number®

618-98-4

CAS Name

Benzoic acid, 3-nitro-, ethyl ester

Molecular Formula

C9H9NO4

Molecular Mass

195.17

Cite this Page

Benzoic acid, 3-nitro-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=618-98-4 (retrieved 2024-12-18) (CAS RN: 618-98-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    297 °C

  • Melting Point (1)

    47 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H9NO4/c1-2-14-9(11)7-4-3-5-8(6-7)10(12)13/h3-6H,2H2,1H3

InChIKey

InChIKey=MKBIJCPQTPFQKQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 3-nitro-, ethyl ester
  • Benzoic acid, m-nitro-, ethyl ester
  • Ethyl m-nitrobenzoate
  • Ethyl 3-nitrobenzoate
  • 3-Nitrobenzoic acid ethyl ester

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