283159-90-0

Name valiphenal
CAS 283159-90-0
EINECS(EC#) 608-192-3
Molecular Formula C19H27ClN2O5
MDL Number MFCD22373630
Molecular Weight 398.88
MOL File 283159-90-0.mol

Chemical Properties

Melting point  >171°C (dec.)
Boiling point  573.2±50.0 °C(Predicted)
density  1.175±0.06 g/cm3(Predicted)
storage temp.  -20°C Freezer, Under inert atmosphere
solubility  DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
form  neat
pka 11.35±0.46(Predicted)
color  Off-White to Pale Brown
BRN  11327531
Henry's Law Constant 6.2×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
Major Application agriculture
environmental
InChI InChI=1S/C19H27ClN2O5/c1-11(2)17(22-19(25)27-12(3)4)18(24)21-15(10-16(23)26-5)13-6-8-14(20)9-7-13/h6-9,11-12,15,17H,10H2,1-5H3,(H,21,24)(H,22,25)/t15?,17-/m0/s1
InChIKey JEGGEMMIZCZSRN-LYKKTTPLSA-N
SMILES C(C1C=CC(=CC=1)Cl)(CC(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)OC(C)C
LogP 3.591 (est)
EPA Substance Registry System Benzenepropanoic acid, 4-chloro-?-[[(2S)-3-methyl-2-[[(1-methylethoxy)carbonyl]amino]-1-oxobutyl]amino]-, methyl ester (283159-90-0)

Safety Data

WGK Germany  1
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 2
Carc. 2

Hazard Information

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