Bromoxynil octanoate

CAS Registry Number®

1689-99-2

CAS Name

Bromoxynil octanoate

Molecular Formula

C15H17Br2NO2

Molecular Mass

403.11

Cite this Page

Bromoxynil octanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86702-80-9 (retrieved 2024-11-24) (CAS RN: 1689-99-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    45.5 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3

InChIKey

InChIKey=DQKWXTIYGWPGOO-UHFFFAOYSA-N

SMILES

O(C(CCCCCCC)=O)C1=C(Br)C=C(C#N)C=C1Br

Canonical SMILES

N#CC1=CC(Br)=C(OC(=O)CCCCCCC)C(Br)=C1

Other Names for this Substance

  • Octanoic acid, 2,6-dibromo-4-cyanophenyl ester
  • Octanoic acid, ester with 3,5-dibromo-4-hydroxybenzonitrile
  • Bromoxynil octanoate
  • Bromoxynil n-octanoyl ester
  • 3,5-Dibromo-4-n-octanoyloxybenzonitrile

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Deleted or Replaced CAS Registry Numbers

33964-24-8, 86702-80-9

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