1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

CAS Registry Number®

65619-21-8
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CAS Name

1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate

Molecular Formula

C16H18ClNO4

Molecular Mass

323.77

Cite this Page

1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=65619-21-8 (retrieved 2024-07-05) (CAS RN: 65619-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    175-181 °C @ Press: 0.04 Torr

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C16H18ClNO4/c1-21-14(19)6-8-16(11-18,9-7-15(20)22-2)12-4-3-5-13(17)10-12/h3-5,10H,6-9H2,1-2H3

InChIKey

InChIKey=NALQEAVLMLLZJN-UHFFFAOYSA-N

SMILES

C(CCC(OC)=O)(CCC(OC)=O)(C#N)C1=CC(Cl)=CC=C1

Canonical SMILES

N#CC(C=1C=CC=C(Cl)C1)(CCC(=O)OC)CCC(=O)OC

Other Names for this Substance

  • Heptanedioic acid, 4-(3-chlorophenyl)-4-cyano-, 1,7-dimethyl ester
  • Heptanedioic acid, 4-(3-chlorophenyl)-4-cyano-, dimethyl ester
  • 1,7-Dimethyl 4-(3-chlorophenyl)-4-cyanoheptanedioate
  • 4-(3-Chlorophenyl)-4-cyanoheptanedioic acid dimethyl ester