3-Nitro-5-(trifluoromethyl)benzoic acid

CAS Registry Number®

328-80-3

CAS Name

3-Nitro-5-(trifluoromethyl)benzoic acid

Molecular Formula

C8H4F3NO4

Molecular Mass

235.12

Cite this Page

3-Nitro-5-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=328-80-3 (retrieved 2024-11-22) (CAS RN: 328-80-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-129 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H4F3NO4/c9-8(10,11)5-1-4(7(13)14)2-6(3-5)12(15)16/h1-3H,(H,13,14)

InChIKey

InChIKey=ODCLHXGXGFBBTA-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)C=1C=C(C=C(C1)C(F)(F)F)N(=O)=O

Other Names for this Substance

  • Benzoic acid, 3-nitro-5-(trifluoromethyl)-
  • m-Toluic acid, α,α,α-trifluoro-5-nitro-
  • 3-Nitro-5-(trifluoromethyl)benzoic acid
  • 5-Trifluoromethyl-3-nitrobenzoic acid

CAS INSIGHTSTM
Targeted protein degrader structure, illustration