Chemical Properties of Fluazifop-butyl (CAS 69806-50-4)

InChI

InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3

InChI Key

VAIZTNZGPYBOGF-UHFFFAOYSA-N

Formula

C19H20F3NO4

SMILES

CCCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

Molecular Weight¹

383.36

CAS

69806-50-4

Other Names

• 2-[4-[[5-(Trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid butyl ester
• Butyl 2-(4-(5-trifluoromethyl-2-pyridinyloxy)phenoxy)propanoate
• Butyl 2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionate
• Fluazifop, butyl ester
• Fluazifop-P-butyl
• Fusilade
• Fusilade W
• Halokon
• IH 773B
• Onecide
• PP 009
• Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester
• Propionic acid, 2-(p-((5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)-, butyl ester
• TF 1169

• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	5.003		Crippen Calculated Property
McVol	265.520	ml/mol	McGowan Calculated Property
Inp	[2190.00; 2203.00]
Inp	2190.00		NIST
Inp	2203.00		NIST
Tfus	282.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Fluazifop-butyl.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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