2-(Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamid
2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide
Grundinformationen
- CAS
73250-68-7- Standard-SMILES
CN(C(=O)COc1nc2ccccc2s1)c1ccccc1- InChIKey
XIGAUIHYSDTJHW-UHFFFAOYSA-N- Summenformel
- C16H14N2O2S
- Durchschnittliche Molmasse
- 298,4 g/mol
- Monoisotopische Masse
- 298,07759887
Überblick
Mefenacet is a member of the class of benzothiazoles that is 1,3-benzothiazole which is substituted at position 2 by a 2-[methyl(phenyl)amino]-2-oxoethoxy group. An antimitotic, it is used for the control of grass weeds in rice. Not approved for use in the European Union. It has a role as a herbicide and an antimitotic. It is a tertiary carboxamide and a member of benzothiazoles.
Namen und Bezeichner
- Bevorzugter Name
- 2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide
- IUPAC
- 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide
- Lokaler Name
- 2-(Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamid
- Englischer Name
- Mefenacet
- Summenformel
- C16H14N2O2S
- Molmasse
- 298.36
Namen und Synonyme
Mefenacet73250-68-7ranchoHINOCHLOA2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide2-(1,3-Benzothiazol-2-yloxy)-N-methylacetanilideQI0QTA02DGDEFANACETNTN-801FOE-1976DTXSID70581732-(2-benzothiazolyl-oxy)-N-methyl-N-phenylacetamide
Weitere Namen anzeigen
mefenaceBATLntn801foe1976MEFENAETMEFANACETMetfenacet
RefChem:810844DTXCID3031941277-328-82-(Benzo[d]thiazol-2-yloxy)-N-methyl-N-phenylacetamide2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide2-(Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamideBTMPA; FOE 1976;NTN 801; RanchoMefenacet [BSI:ISO]
Datenbank-Bezeichner
- CAS
73250-68-7- PubChem CID
- 91716
- DTXSID
DTXSID7058173- ChEMBL
CHEMBL1592324
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 70,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 360
Experimentelle und physikochemische Eigenschaften
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Mefenacet) -> USDA PDB
LogP3.23
Physikochemische Eigenschaften
- Schmelzpunkt
- 134.8 ° · 134.8°
- Siedepunkt
- 441 · 441.0±47.0 °C(Predicted)
- Dichte
- 1.2361 · 1.2361 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- Flammpunkt
- 100 °C · >100 °C
- storage temp.
- 0 · 0-6°C
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 1.53 · 1.53±0.10(Predicted)
- BRN
- 1143987 · 1143987
- Henry's Law Constant
- 2.1 · 2.1×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
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
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
Gefahrenhinweise
Regulatory Information2002/2076
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Reproductive toxicity - Category 2
Aquatic Chronic 2
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 3077
- hs_code
- 29342000
- RTECS-Nr.
- AB4542550
- risk_code
- 51/53
- Toxizität
- LD50 in rats, mice (mg/kg): >5000, >5000 orally; >1000, >1000 s.c.; >5000, >5000 dermally; LC50 (4 hr) in rats: 134 mg/m3 (Schmidt)
- hazard_code
- N
- safety_code
- 61
Chemie und Industrie
Anwendungen
VerwendenMefenacet is an acetanilide herbicide which is used for pre- and post emergence control of annual weeds in paddy oil. Mefenacet has been widely used and repeated in Asian countries and is frequently d etected in river or lake water.
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