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Merck
CN

94043

Isoxaflutole Metabolite RPA202248

PESTANAL®, analytical standard

Synonym(s):

α-(Cyclopropylcarbonyl)-2-(methylsulfonyl)-β-oxo-4-(trifluoromethyl)benzenepropanenitrile, (2RS)-3-Cyclopropyl-2-[2-(methylsulfonyl)-4-(trifluoromethyl)benzoyl]-3-oxopropanenitrile

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About This Item

Empirical Formula (Hill Notation):
C15H12F3NO4S
CAS Number:
Molecular Weight:
359.32
UNSPSC Code:
12352200
MDL number:
NACRES:
NA.24
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InChI

1S/C15H12F3NO4S/c1-24(22,23)12-6-9(15(16,17)18)4-5-10(12)14(21)11(7-19)13(20)8-2-3-8/h4-6,8,11H,2-3H2,1H3

InChI key

ZTTKDUXKVPEXCG-UHFFFAOYSA-N

SMILES string

N#CC(C(C1CC1)=O)C(C2=CC=C(C(F)(F)F)C=C2S(=O)(C)=O)=O

grade

analytical standard

product line

PESTANAL®

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, liquid chromatography (LC): suitable

application(s)

agriculture
environmental
food and beverages

format

neat

Quality Level

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazardEnvironment

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2

Storage Class

11 - Combustible Solids

flash_point_f

Not applicable

flash_point_c

Not applicable


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