Myclobutanil

CAS Registry Number®

88671-89-0

CAS Name

Myclobutanil

Molecular Formula

C15H17ClN4

Molecular Mass

288.78

Cite this Page

Myclobutanil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88671-89-0 (retrieved 2024-11-24) (CAS RN: 88671-89-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    202-208 °C @ Press: 1 Torr

  • Melting Point (2)

    65.5 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)
  • (2) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3

InChIKey

InChIKey=HZJKXKUJVSEEFU-UHFFFAOYSA-N

SMILES

C(CN1C=NC=N1)(CCCC)(C#N)C2=CC=C(Cl)C=C2

Canonical SMILES

N#CC(C1=CC=C(Cl)C=C1)(CN2N=CN=C2)CCCC

Other Names for this Substance

  • 1H-1,2,4-Triazole-1-propanenitrile, α-butyl-α-(4-chlorophenyl)-
  • α-Butyl-α-(4-chlorophenyl)-1H-1,2,4-triazole-1-propanenitrile
  • RH 3866
  • Myclobutanil
  • Systhane

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Deleted or Replaced CAS Registry Numbers

96281-50-4, 154144-93-1, 205862-69-7, 1135441-12-1, 1256343-07-3

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