9-Methylbenzo[a]pyrene

CAS Registry Number®

70644-19-8
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CAS Name

9-Methylbenzo[a]pyrene

Molecular Formula

C21H14

Molecular Mass

266.34

Cite this Page

9-Methylbenzo[a]pyrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70644-19-8 (retrieved 2024-06-26) (CAS RN: 70644-19-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    147.2-148 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=PPGFLJQLUCRDDM-UHFFFAOYSA-N

SMILES

CC=1C=C2C=3C4=C5C(=CC3)C=CC=C5C=CC4=CC2=CC1

Canonical SMILES

C=1C=C2C=CC3=CC=4C=CC(=CC4C=5C=CC(C1)=C2C35)C

Other Names for this Substance

  • Benzo[a]pyrene, 9-methyl-
  • 9-Methylbenzo[a]pyrene

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