Grundinformationen
- Standard-SMILES
CC(=NC#N)N(C)Cc1ccc(Cl)nc1- InChIKey
WCXDHFDTOYPNIE-UHFFFAOYSA-N- Summenformel
- C10H11ClN4
- Durchschnittliche Molmasse
- 222,67 g/mol
- Monoisotopische Masse
- 222,06722403
Überblick
Acetamiprid is a carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group. It has a role as a neonicotinoid insectide, a xenobiotic and an environmental contaminant. It is a nitrile, a carboxamidine and a monochloropyridine. It is functionally related to a 2-chloropyridine.
Namen und Bezeichner
- Bevorzugter Name
- N-((6-Chloro-3-pyridinyl)methyl)-N'-cyano-N-methylethanimidamide
- IUPAC
- N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
- Englischer Name
- Acetamiprid
- Summenformel
- C10H11ClN4
- Molmasse
- 222.67
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
135410-20-7、160430-64-8- PubChem CID
- 213021
- DTXSID
DTXSID901015148- ChEMBL
CHEMBL3185634- ChEBI
CHEBI:39163- UNII
- 5HL5N372P0
- EC Number
- 682-791-8
- Nikkaji
- J1.112.167E、J682.238J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 52,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 280
Experimentelle und physikochemische Eigenschaften
Pesticides
Pesticides
Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
Collision Cross Section
155.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0034300]
150.24 Ų [M+H]+ [CCS Type: TW]
157.86 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 100 · 100-102°C
- Siedepunkt
- 352.38 · 352.380±52.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.174 · 1.174±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -0.44 · -0.440±0.10(predicted)
- Major Application
- agricultureenvironmental
- InChI
- InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3/b14-8+
- InChIKey
- WCXDHFDTOYPNIE-RIYZIHGNSA-N
- SMILES
- C(/N(CC1=CC=C(Cl)N=C1)C)(=N\C#N)\C
- LogP
- 0.62 · 0.620 (est)
- CAS Datenbank
- 160430 · 160430-64-8(CAS DataBase Reference)
- NIST chemische Informationen
- Acetamiprid(160430-64-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P316, P318, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P271, P273, P284, P301+P316, P304+P340, P316, P320, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Hazard Classes and Categories
Acute Tox. 3 (97.4%)
Acute toxicity (Oral) - Category 3
Repr. 2
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811
- RTECS-Nr.
- KJ4235200
- risk_code
- 23/25-57
- Toxizität
- LD50 in male, female rats, male, female mice (mg/kg): 217, 146, 198, 184 orally (Takahashi)
- hazard_code
- T
- safety_code
- 45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Repr. 2
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
Anwendungen
VerwendenInsecticide.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionChEBI: A carboxamidine that is acetamidine in which the amino hydrogens are substituted by a (6-chloropyridin-3-yl)methyl and a methyl group while the hydrogen attached to the imino nitrogen is replaced by a cyano group.
Zugehörige Reaktionen
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