Phenol, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 1-acetate

CAS Registry Number®

50594-44-0

CAS Name

Phenol, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 1-acetate

Molecular Formula

C15H9ClF3NO5

Molecular Mass

375.68

Cite this Page

Phenol, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 1-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=50594-44-0 (retrieved 2025-06-01) (CAS RN: 50594-44-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-89 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C15H9ClF3NO5/c1-8(21)24-14-7-10(3-4-12(14)20(22)23)25-13-5-2-9(6-11(13)16)15(17,18)19/h2-7H,1H3

InChIKey

InChIKey=PSWSPFSDVZVVDC-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(OC(C)=O)C=C(OC2=C(Cl)C=C(C(F)(F)F)C=C2)C=C1

Canonical SMILES

O=C(OC1=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=CC=C1N(=O)=O)C

Other Names for this Substance

  • Phenol, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 1-acetate
  • Phenol, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, acetate (ester)
  • 5-[(2-Chloro-α,α,α-trifluoro-p-tolyl)oxy]-2-nitrophenyl acetate

CAS INSIGHTSTM
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