Simfibrate

CAS Registry Number®

14929-11-4
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CAS Name

Simfibrate

Molecular Formula

C23H26Cl2O6

Molecular Mass

469.35

Cite this Page

Simfibrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=14929-11-4 (retrieved 2024-04-18) (CAS RN: 14929-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    225 °C

  • Melting Point (1)

    52 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C23H26Cl2O6/c1-22(2,30-18-10-6-16(24)7-11-18)20(26)28-14-5-15-29-21(27)23(3,4)31-19-12-8-17(25)9-13-19/h6-13H,5,14-15H2,1-4H3

InChIKey

InChIKey=JLRNKCZRCMIVKA-UHFFFAOYSA-N

SMILES

O(C(C(OCCCOC(C(OC1=CC=C(Cl)C=C1)(C)C)=O)=O)(C)C)C2=CC=C(Cl)C=C2

Canonical SMILES

O=C(OCCCOC(=O)C(OC1=CC=C(Cl)C=C1)(C)C)C(OC2=CC=C(Cl)C=C2)(C)C

Other Names for this Substance

  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 1,1′-(1,3-propanediyl) ester
  • Propionic acid, 2-(p-chlorophenoxy)-2-methyl-, trimethylene ester
  • Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, 1,3-propanediyl ester
  • 1,3-Propanediol, bis[2-(p-chlorophenoxy)-2-methylpropionate]
  • 1,3-Propanediol bis(2-p-chlorophenoxyisobutyrate)

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Deleted or Replaced CAS Registry Numbers

108913-91-3

CAS INSIGHTSTM
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