Ethaboxam
Grundinformationen
- CAS
162650-77-3- Standard-SMILES
CCNc1nc(CC)c(C(=O)NC(C#N)c2cccs2)s1- InChIKey
NQRFDNJEBWAUBL-UHFFFAOYSA-N- Summenformel
- C14H16N4OS2
- Durchschnittliche Molmasse
- 320,4 g/mol
- Monoisotopische Masse
- 320,07655349
Überblick
N-[cyano(2-thienyl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide is a member of the class of aromatic amides obtained by formal condensation of the carboxy group of 4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxylic acid with the amino group of amino(2-thienyl)acetonitrile. It is a nitrile, a member of thiophenes, an aromatic amine, a member of 1,3-thiazoles, a secondary amino compound and an aromatic amide.
Namen und Bezeichner
- Bevorzugter Name
- Ethaboxam
- IUPAC
- N-[cyano(thiophen-2-yl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamide
- Englischer Name
- ETHABOXAM
- Summenformel
- C14H16N4OS2
- Molmasse
- 320.44
Namen und Synonyme
Ethaboxam162650-77-37MP0L17BM8DTXSID2057994RefChem:591354DTXCID0031762CHEBI:82856Ethaboxam [ISO]N-[cyano(thiophen-2-yl)methyl]-4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxamideEthofin; Guardian; Intego Solo5-Thiazolecarboxamide, N-(cyano-2-thienylmethyl)-4-ethyl-2-(ethylamino)-UNII-7MP0L17BM8
Weitere Namen anzeigen
lgc-30473Ethaboxam SolutionC13217000 EthaboxamEthaboxam (Standard)ethaboxam (bsi,paiso)Sparsentan Impurity 64Clomethiazolum Impurity 2Ethaboxam, 10 μg /μL in methanolEthaboxam@100 μg/mL in Acetonitrile
SCHEMBL20484orb2945376orb3025576C14H16N4OS2CHEBI:82857EX-A888MSK21349MFCD08273841
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 134 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 411
Experimentelle und physikochemische Eigenschaften
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Ethaboxam) -> USDA PDB
Physikochemische Eigenschaften
- Schmelzpunkt
- 189 ℃ · approximate 189℃ (dec.)
- Dichte
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- Löslichkeit
- Chloroform (Slightly), Methanol (Very Slightly)
- pka
- 10.83 · 10.83±0.46(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Off-White to Light Pink
- Stabilität
- Light Sensitive
- EPA chemische Informationen
- 5 · 5-Thiazolecarboxamide, N-(cyano-2-thienylmethyl)-4-ethyl-2-(ethylamino)- (162650-77-3)
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 (36.4%): 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 44 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationEthaboxam is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Hazard Classes and CategoriesSTOT RE 2 (36.4%)
Toxikologische Informationen
RAIS Toxicity Values
0.055
OPP
EPA Human Health Benchmarks for Pesticides
Ethaboxam
0.055
330
General Population
Human Health Benchmarks for Pesticides - 2021 Update
Sicherheitsdaten
- hs_code
- 29349990
Chemie und Industrie
Anwendungen
VerwendenEthaboxam is a pesticide used as a fungicide against fungal infections in crops.
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…