3-Nitro-5-(trifluoromethyl)benzoic acid
CAS Registry Number®
328-80-3
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CAS Name
3-Nitro-5-(trifluoromethyl)benzoic acidMolecular Formula
C8H4F3NO4Molecular Mass
235.12Cite 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/ChemicalDetail.aspx?ref=328-80-3 (retrieved ) (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
