1-Methylbenzo[a]pyrene

CAS Registry Number®

40568-90-9

CAS Name

1-Methylbenzo[a]pyrene

Molecular Formula

C21H14

Molecular Mass

266.34

Cite this Page

1-Methylbenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=40568-90-9 (retrieved 2025-05-18) (CAS RN: 40568-90-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    155-156.5 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=WMAYPBMLSQKCHA-UHFFFAOYSA-N

SMILES

CC=1C=2C3=C4C(C=5C(C=C4C=CC3=CC1)=CC=CC5)=CC2

Canonical SMILES

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

Other Names for this Substance

  • Benzo[a]pyrene, 1-methyl-
  • 1-Methylbenzo[a]pyrene

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