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About This Item
Empirical Formula (Hill Notation):
C14H16F3N3O4
CAS Number:
Molecular Weight:
347.29
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
EC Number:
247-656-6
Beilstein/REAXYS Number:
2179006
MDL number:
grade
analytical standard
Quality Level
product line
PESTANAL®
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
agriculture
environmental
format
neat
SMILES string
CCCN(CC1CC1)c2c(cc(cc2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
InChI
1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
InChI key
ITVQAKZNYJEWKS-UHFFFAOYSA-N
Application
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
Other Notes
Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.
Legal Information
PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 2
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
农药列管产品
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N D Camper et al.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 15(5), 457-473 (1980-01-01)
The degradation of profluralin [N-(cyclopropylmethyl)-alpha,alpha,alpha-trifluoro-2,6-dinitro-N-propyl-p-toluidine] and trifluralin (alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine) was studied under aerobic and anaerobic soil conditions. Three soils (Goldsboro loamy sand, Cecil loamy sand, Drummer clay loam) were each treated with 1 ppmw herbicide; anaerobic conditions were maintained by flooding.
A R Jacobson et al.
Chemical research in toxicology, 1(5), 304-311 (1988-09-01)
Fluorine NMR spectroscopy has been used to identify and quantitate metabolites of profluralin appearing in the urine of rats postingestion of the herbicide. The chemical shift of the trifluoromethyl group was shown to be a useful indicator of the chemical
R C Honeycutt et al.
Journal of environmental pathology and toxicology, 3(5-6), 21-33 (1980-06-01)
Recent developments in the technology of removal and characterization of bound residues of two herbicides, nitrofen and profluralin, from plants and soil will be reviewed. 14C-Nitrofen was found to be metabolized into starch in wheat grain as well as bound

