2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid

CAS Registry Number®

728-56-3

CAS Name

2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid

Molecular Formula

C9H6F3NO4S

Molecular Mass

281.21

Cite this Page

2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=728-56-3 (retrieved 2024-11-29) (CAS RN: 728-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154-155 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6F3NO4S/c10-9(11,12)5-1-2-7(18-4-8(14)15)6(3-5)13(16)17/h1-3H,4H2,(H,14,15)

InChIKey

InChIKey=UKWVKDJZWQVZEH-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CSC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Other Names for this Substance

  • Acetic acid, 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-
  • Acetic acid, [(α,α,α-trifluoro-2-nitro-p-tolyl)thio]-
  • Acetic acid, [[2-nitro-4-(trifluoromethyl)phenyl]thio]-
  • 2-[[2-Nitro-4-(trifluoromethyl)phenyl]thio]acetic acid
  • (2-Nitro-4-trifluoromethyl-phenylsulfanyl)-acetic acid

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