4-Amino-3-(trifluoromethyl)benzoic acid

CAS Registry Number®

400-76-0
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CAS Name

4-Amino-3-(trifluoromethyl)benzoic acid

Molecular Formula

C8H6F3NO2

Molecular Mass

205.13

Cite this Page

4-Amino-3-(trifluoromethyl)benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=400-76-0 (retrieved 2024-04-28) (CAS RN: 400-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206-207 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)5-3-4(7(13)14)1-2-6(5)12/h1-3H,12H2,(H,13,14)

InChIKey

InChIKey=NPPPORJZPNJXNQ-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C1=CC(C(O)=O)=CC=C1N

Canonical SMILES

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

Other Names for this Substance

  • Benzoic acid, 4-amino-3-(trifluoromethyl)-
  • m-Toluic acid, 4-amino-α,α,α-trifluoro-
  • 4-Amino-3-(trifluoromethyl)benzoic acid
  • 4-Amino-5-trifluoromethylbenzoic acid

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