Coumarin 500

CAS Registry Number®

52840-38-7
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CAS Name

Coumarin 500

Molecular Formula

C12H10F3NO2

Molecular Mass

257.21

Cite this Page

Coumarin 500.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52840-38-7 (retrieved 2024-08-28) (CAS RN: 52840-38-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161.7 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C12H10F3NO2/c1-2-16-7-3-4-8-9(12(13,14)15)6-11(17)18-10(8)5-7/h3-6,16H,2H2,1H3

InChIKey

InChIKey=GZTMNDOZYLMFQE-UHFFFAOYSA-N

SMILES

C(F)(F)(F)C=1C=2C(=CC(NCC)=CC2)OC(=O)C1

Canonical SMILES

O=C1OC=2C=C(C=CC2C(=C1)C(F)(F)F)NCC

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 7-(ethylamino)-4-(trifluoromethyl)-
  • 7-(Ethylamino)-4-(trifluoromethyl)-2H-1-benzopyran-2-one
  • 7-(Ethylamino)-4-(trifluoromethyl)coumarin
  • Coumarin 500F
  • Coumarin 500

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Deleted or Replaced CAS Registry Numbers

68335-32-0