3-Methylcholanthrene

CAS Registry Number®

56-49-5

CAS Name

3-Methylcholanthrene

Molecular Formula

C21H16

Molecular Mass

268.35

Cite this Page

3-Methylcholanthrene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=56-49-5 (retrieved 2024-11-22) (CAS RN: 56-49-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    280 °C @ Press: 80 Torr

  • Melting Point (1)

    179 °C

  • Density (1)

    1.28 g/cm³ @ Temp: 20 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

InChIKey

InChIKey=PPQNQXQZIWHJRB-UHFFFAOYSA-N

SMILES

CC1=C2C3=C(C=4C(C=C3C=C1)=C5C(=CC4)C=CC=C5)CC2

Canonical SMILES

C=1C=CC2=C(C1)C=CC3=C2C=C4C=CC(=C5C4=C3CC5)C

Other Names for this Substance

  • Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-
  • Cholanthrene, 3-methyl-
  • 1,2-Dihydro-3-methylbenz[j]aceanthrylene
  • 20-MC
  • 3-MC

View All

Deleted or Replaced CAS Registry Numbers

345299-31-2