5-Bromovanillin

CAS Registry Number®

2973-76-4

CAS Name

5-Bromovanillin

Molecular Formula

C8H7BrO3

Molecular Mass

231.04

Cite this Page

5-Bromovanillin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2973-76-4 (retrieved 2024-11-29) (CAS RN: 2973-76-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-169 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C8H7BrO3/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-4,11H,1H3

InChIKey

InChIKey=KLSHZDPXXKAHIJ-UHFFFAOYSA-N

SMILES

O(C)C1=C(O)C(Br)=CC(C=O)=C1

Canonical SMILES

O=CC1=CC(Br)=C(O)C(OC)=C1

Other Names for this Substance

  • Benzaldehyde, 3-bromo-4-hydroxy-5-methoxy-
  • Vanillin, 5-bromo-
  • 3-Bromo-4-hydroxy-5-methoxybenzaldehyde
  • 5-Bromovanillin
  • 5-Bromo-4-hydroxy-3-methoxybenzaldehyde

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