Benzoic acid, 4-nitro-, propyl ester

CAS Registry Number®

94-22-4

CAS Name

Benzoic acid, 4-nitro-, propyl ester

Molecular Formula

C10H11NO4

Molecular Mass

209.20

Cite this Page

Benzoic acid, 4-nitro-, propyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94-22-4 (retrieved 2024-12-19) (CAS RN: 94-22-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    128 °C @ Press: 16 mmHg

  • Melting Point (2)

    34 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H11NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3

InChIKey

InChIKey=KXUOYHZSTGGNCK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-nitro-, propyl ester
  • Benzoic acid, p-nitro-, propyl ester
  • p-Nitrobenzoic acid, n-propyl ester
  • Propyl 4-nitrobenzoate
  • n-Propyl p-nitrobenzoate

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