Valifenalate
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Valifenalate
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CAS No:
283159-90-0
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Formula:
C19H27ClN2O5
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Chemical Name:
Valifenalate
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Synonyms:
β-Alanine,N-[(1-methylethoxy)carbonyl]-L-valyl-3-(4-chlorophenyl)-,methyl ester;IR 5885;Valiphenal;Valifenalate
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CAS No:
Description
Valifenalate is a diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes. It has a role as an antifungal agrochemical. It is a diastereoisomeric mixture and an acylamino acid fungicide. It contains a L-(R)-valifenalate and a L-(S)-valifenalate.
Characteristics
100.71000
4.26430
1.175g/cm3
573.2ºC at 760 mmHg
300.5ºC
1.514
3.81E-13mmHg at 25°C
208.43 Ų [M-H]-
Safety Information
|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Valifenalate Use and Manufacturing
Agrochemicals -> Fungicides|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)
Valifenalate has known environmental transformation products that include S2 (IR5885-acid), S3 (4-chlorobenzoic acid), Valifenalate metabolite Prop.1, and Valifenalate metabolite Prop.2.
Computed Properties
Molecular Weight:398.9
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:398.1608497
Monoisotopic Mass:398.1608497
Topological Polar Surface Area:93.7
Heavy Atom Count:27
Complexity:504
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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