11-Methylbenzo[a]pyrene

CAS Registry Number®

16757-80-5

CAS Name

11-Methylbenzo[a]pyrene

Molecular Formula

C21H14

Molecular Mass

266.34

Cite this Page

11-Methylbenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16757-80-5 (retrieved 2025-03-14) (CAS RN: 16757-80-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    166-166.5 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C21H14/c1-13-11-16-7-4-6-14-9-10-17-12-15-5-2-3-8-18(15)19(13)21(17)20(14)16/h2-12H,1H3

InChIKey

InChIKey=ZWJRHJOLMBZEMI-UHFFFAOYSA-N

SMILES

CC1=C2C3=C4C(=C1)C=CC=C4C=CC3=CC=5C2=CC=CC5

Canonical SMILES

C=1C=CC2=C(C1)C=C3C=CC4=CC=CC=5C=C(C2=C3C45)C

Other Names for this Substance

  • Benzo[a]pyrene, 11-methyl-
  • 11-Methylbenzo[a]pyrene
  • 11-Methylbenzo(a)pyrene

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