Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester

CAS Registry Number®

87736-89-8

CAS Name

Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester

Molecular Formula

C13H8F3N3O4

Molecular Mass

327.22

Cite this Page

Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87736-89-8 (retrieved 2024-11-24) (CAS RN: 87736-89-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    106 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C13H8F3N3O4/c14-13(15,16)12(17-18-12)8-3-1-7(2-4-8)11(22)23-19-9(20)5-6-10(19)21/h1-4H,5-6H2

InChIKey

InChIKey=INRPFQHJCXWTGK-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1(N=N1)C2=CC=C(C(ON3C(=O)CCC3=O)=O)C=C2

Canonical SMILES

O=C(ON1C(=O)CCC1=O)C2=CC=C(C=C2)C3(N=N3)C(F)(F)F

Other Names for this Substance

  • Benzoic acid, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-, 2,5-dioxo-1-pyrrolidinyl ester
  • 2,5-Pyrrolidinedione, 1-[[4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoyl]oxy]-
  • 3H-Diazirine, 2,5-pyrrolidinedione deriv.
  • 2,5-Dioxopyrrolidin-1-yl 4-(3-(trifluoromethyl)-3H-diazirin-3-yl)benzoate

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