FLUMIOXAZIN CAS#: 103361-09-7; 凯望编码 (ChemWhat Code): 34492

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

英文名FLUMIOXAZIN
IUPAC Name2-(7-fluoro-3-oxo-4-prop-2-ynyl-1,4-benzoxazin-6-yl)-4,5,6,7-tetrahydroisoindole-1,3-dione
分子结构Structure of Flumioxazin CAS 103361-09-7
CAS编号 103361-09-7
EINECS NumberNo data available
MDL NumberMFCD01754256
Beilstein Registry NumberNo data available
别名flumioxazinN-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4-benzoxazin-6-yl)cyclohex-1-ene-1,2-dicarboxamide7-fluoro-6-(3,4,5,6-tetrahydrophthalimido)-4-(2-propynyl)-2H-1,4-benzoxazin-3(4H)-one2-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dioneS-534822-[7-fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazine-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
分子式C19H15FN2O4
分子量354.33
InChIInChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2
InChI KeyFOUWCSDKDDHKQP-UHFFFAOYSA-N
Canonical SMILESC#CCN1c2cc(c(cc2OCC1=O)F)N3C(=O)C4=C(C3=O)CCCC4
Patent Information
Patent IDTitlePublication Date
WO2014/122674PROCESS FOR PREPARATION OF DERIVATIVES OF TETRAHYDROPHTHALIMIDE2014
EP1464221HERBICIDAL COMPOSITION AND METHOD OF USING THE SAME2004

Physical Data

AppearanceOff-white to light brown powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available
Melting Point, °C Solvent (Melting Point)
196

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHz
Chemical shifts, Spectrum1Hchloroform-d1500
Chemical shifts1Hchloroform-d1
Chemical shifts13CCDCl367.5
Description (Mass Spectrometry)
liquid chromatography mass spectrometry (LCMS), spectrum
tandem mass spectrometry, electrospray ionisation (ESI), liquid chromatography mass spectrometry (LCMS), high resolution mass spectrometry (HRMS), spectrum
liquid chromatography mass spectrometry (LCMS), electrospray ionisation (ESI), tandem mass spectrometry, spectrum

Route of Synthesis (ROS)

Route of Synthesis (ROS) of FLUMIOXAZIN CAS# 103361-09-7
Route of Synthesis (ROS) of FLUMIOXAZIN CAS# 103361-09-7
ConditionsYield
With piperidine; acetic acid for 6h; Reagent/catalyst; Reflux;97.2%
With acetic acid at 80℃; for 4h;90%
In acetic acid at 70 – 120℃; Large scale;82.2%

Safety and Hazards

Pictogram(s)health-hazardenvironment
SignalDanger
GHS Hazard StatementsH360D: May damage the unborn child [Danger Reproductive toxicity]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Information may vary between notifications depending on impurities, additives, and other factors.
Precautionary Statement CodesP203, P273, P280, P318, P391, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life2 years
Market PriceUSD 15/g
Druglikeness
Lipinski rules component
分子量354.338
logP1.184
HBA5
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)66.92
Rotatable Bond (RotB)2
Matching Veber Rules2
Use Pattern
FLUMIOXAZIN CAS#: 103361-09-7 Agricultural use
weeding in farmland or non-arable land in combination with glufosinate ammonium
part of composition for controlling herbicide resistant weeds
reducing the population Spermacoce verticillate weeds
composition for controlling Spermacoce verticillate weeds resistant to 5-enolpyruvylshikimate-3- phosphate synthase inhibiting herbicides

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认证生产商

Warshel Chemical Ltdhttp://www.warshel.com/
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