1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (1:?:?)

CAS Registry Number®

1138011-23-0

CAS Name

1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (1:?:?)

Molecular Formula

C9H8BrN3.xBrH.xH2O

Cite this Page

1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (1:?:?).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1138011-23-0 (retrieved 2024-10-06) (CAS RN: 1138011-23-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H8BrN3.BrH.H2O/c10-5-8-1-3-9(4-2-8)13-7-11-6-12-13;;/h1-4,6-7H,5H2;1H;1H2

InChIKey

InChIKey=DNAWJHAKVANTPG-UHFFFAOYSA-N

SMILES

C(Br)C1=CC=C(C=C1)N2C=NC=N2.Br.O

Canonical SMILES

Br.BrCC1=CC=C(C=C1)N2N=CN=C2.O

Other Names for this Substance

  • 1H-1,2,4-Triazole, 1-[4-(bromomethyl)phenyl]-, hydrobromide, hydrate (1:?:?)

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox