Indaziflam
Grundinformationen
- CAS
950782-86-2- Standard-SMILES
Cc1ccc2c(c1)[C@H](Nc1nc(N)nc(C(C)F)n1)[C@@H](C)C2- InChIKey
YFONKFDEZLYQDH-BOURZNODSA-N- Summenformel
- C16H20FN5
- Durchschnittliche Molmasse
- 301,36 g/mol
- Monoisotopische Masse
- 301,17027382
Überblick
Indaziflam is a diastereoisomeric mixture of the two fluoroethyl diastereoisomers of N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1R,2S configuration. A cellulose biosynthesis inhibitor, it is used as a pre-emergence herbicide for the control of annual grasses and broad-leaved weeds in citrus, grapes, fruit trees, Christmas tree farms, lawns and sports fields. The two diastereoisomers have very similar biological activity; commercial material is a 95:5 mixture of the (1R,2S,fluoroethyl-R) and (1R,2S,fluoroethyl-S) diastereoisomers. It has a role as a herbicide and a cellulose synthesis inhibitor. It contains a N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine and a N-[(1R,2S)-2,6-dimethyindan-1-yl]-6-[(1S)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.
Namen und Bezeichner
- Bevorzugter Name
- Indaziflam
- IUPAC
- 2-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
- Englischer Name
- N-[(1R,2S)-2,3-Dihydro-2,6-dimethyl-1H-inden-1-yl]-6-[(1RS)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
- Summenformel
- C16H20FN5
- Molmasse
- 301.36
Namen und Synonyme
Indaziflam950782-86-2M64ZDU291EDTXSID0058223CHEBI:133237N-((1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamineN-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamineRefChem:148108DTXCID3031991Indaziflam [ISO]N2-((1R,2S)-2,6-Dimethyl-2,3-dihydro-1H-inden-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine2-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
Weitere Namen anzeigen
Indaziflam SolutionC14288300 IndaziflamIndaziflam in AcetonitrileIndaziflam 10.0 μg/ml AcetoneIndaziflam 100 μg/ml AcetonitrileIndaziflam@100 μg/mL in Acetonitrile2-Amino-4-[(1R,2S)-2,6-dimethyl-indan-1-ylamino]-6-(1-fluoroethyl)-1,3,5-triazineN2-[(1R,2S)-2,3-Dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
AlionindaziflameUNII-M64ZDU291EEsplanadeSpecticleDuraZone1,3,5-TRIAZINE-2,4-DIAMINE, N2-((1R,2S)-2,3-DIHYDRO-2,6-DIMETHYL-1H-INDEN-1-YL)-6-(1-FLUOROETHYL)-1,3,5-Triazine-2,4-diamine, N2-[(1R,2S)-2,3-dihydro-2,6-dimethyl-1H-inden-1-yl]-6-(1-fluoroethyl)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 76,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 382
Experimentelle und physikochemische Eigenschaften
PFASPFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Indaziflam) -> USDA PDB
Collision Cross Section
169.27 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
168.2 Ų [M+H]+
Physikochemische Eigenschaften
- Siedepunkt
- 513 · 513.0±60.0 °C(Predicted)
- Dichte
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 · 0-0Pa at 20-50℃
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 3.89 · 3.89±0.10(Predicted)
- PH
- 5.1 · 5.1-6.6 at 23℃ and 10g/L
- BRN
- 20920435 · 20920435
- Major Application
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H373 (79.1%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 187 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Indaziflam is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
REACH registered substance: 2-N-[(1R,2S)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (EC: 936-023-6)
Hazard Classes and CategoriesSTOT RE 2 (79.1%)
Toxikologische Informationen
RAIS Toxicity Values
0.075
OPP
0.02
OPP
EPA Human Health Benchmarks for Pesticides
Indaziflam
0.075
500
Children
0.02
100
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- RTECS-Nr.
Chemie und Industrie
Verwendung und Herstellung
Household ProductsInformation on 2 consumer products that contain Indaziflam [ISO] in the following categories is provided:
Ergänzende Hinweise
DefinitionChEBI: A diastereoisomeric mixture of the two fluoroethyl diastereoisomers of N-(2,6-dimethylindan-1-yl)-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine in which the indane moiety has 1R,2S configuration. A cellul se biosynthesis inhibitor, it is used as a pre-emergence herbicide for the control of annual grasses and broad-leaved weeds in citrus, grapes, fruit trees, Christmas tree farms, lawns and sports fields. The two diastereoisomers have very similar biological activity; commercial material is a 95:5 mixture of the (1R,2S,fluoroethyl-R) and (1R,2S,fluoroethyl-S) diastereoisomers.
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