Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate

CAS Registry Number®

13544-05-3

CAS Name

Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate

Molecular Formula

C11H7F3N2O4

Molecular Mass

288.18

Cite this Page

Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13544-05-3 (retrieved 2024-11-24) (CAS RN: 13544-05-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    101-102 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H7F3N2O4/c1-20-10(17)8(5-15)7-3-2-6(11(12,13)14)4-9(7)16(18)19/h2-4,8H,1H3

InChIKey

InChIKey=HDRIGUQRECFCAK-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

N#CC(C(=O)OC)C1=CC=C(C=C1N(=O)=O)C(F)(F)F

Other Names for this Substance

  • Benzeneacetic acid, α-cyano-2-nitro-4-(trifluoromethyl)-, methyl ester
  • Acetic acid, cyano(α,α,α-trifluoro-2-nitro-p-tolyl)-, methyl ester
  • Methyl α-cyano-2-nitro-4-(trifluoromethyl)benzeneacetate

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