2-Nitro-4-(trifluoromethyl)benzeneacetic acid

CAS Registry Number®

1735-91-7

CAS Name

2-Nitro-4-(trifluoromethyl)benzeneacetic acid

Molecular Formula

C9H6F3NO4

Molecular Mass

249.14

Cite this Page

2-Nitro-4-(trifluoromethyl)benzeneacetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1735-91-7 (retrieved 2024-11-24) (CAS RN: 1735-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    145-146.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H6F3NO4/c10-9(11,12)6-2-1-5(3-8(14)15)7(4-6)13(16)17/h1-2,4H,3H2,(H,14,15)

InChIKey

InChIKey=DUDZAZPWJFTDPV-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CC1=CC=C(C=C1N(=O)=O)C(F)(F)F

Other Names for this Substance

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

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