Bromoxynil butyrate

CAS Registry Number®

3861-41-4

CAS Name

Bromoxynil butyrate

Molecular Formula

C11H9Br2NO2

Molecular Mass

347.00

Cite this Page

Bromoxynil butyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3861-41-4 (retrieved 2024-11-21) (CAS RN: 3861-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    85-87 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3

InChIKey

InChIKey=PGMZYNZXIYOOHJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 2,6-dibromo-4-cyanophenyl ester
  • Butyric acid, ester with 3,5-dibromo-4-hydroxybenzonitrile
  • Bromoxynil butyrate
  • Bromoxynil butanoate
  • 2,6-Dibromo-4-cyanophenyl butanoate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration