6-Bromobenzo[a]pyrene

CAS Registry Number®

21248-00-0
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CAS Name

6-Bromobenzo[a]pyrene

Molecular Formula

C20H11Br

Molecular Mass

331.21

Cite this Page

6-Bromobenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21248-00-0 (retrieved 2024-08-11) (CAS RN: 21248-00-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    222-224 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C20H11Br/c21-20-16-7-2-1-6-14(16)15-10-8-12-4-3-5-13-9-11-17(20)19(15)18(12)13/h1-11H

InChIKey

InChIKey=MJSYSGSEEADMTK-UHFFFAOYSA-N

SMILES

BrC1=C2C3=C4C(=CC=C3C=5C1=CC=CC5)C=CC=C4C=C2

Canonical SMILES

BrC=1C=2C=CC=CC2C=3C=CC=4C=CC=C5C=CC1C3C54

Other Names for this Substance

  • Benzo[a]pyrene, 6-bromo-
  • 6-Bromobenzo[a]pyrene