Pyrimidifen

HCID 6451139

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Grundinformationen

CAS: 105779-78-0
Standard-SMILES: CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C
InChIKey: ITKAIUGKVKDENI-UHFFFAOYSA-N
Summenformel: C20H28ClN3O2
Durchschnittliche Molmasse: 377,9 g/mol
Monoisotopische Masse: 377,18700482

Überblick

Pyrimidifen is an aminopyrimidine, a pyrimidinamine insecticide and a pyrimidinamine acaricide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor.

Namen und Bezeichner

Bevorzugter Name: Pyrimidifen
IUPAC: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine
Englischer Name: Pyrimidifen
Summenformel: C20H28ClN3O2
Molmasse: 377.91

Namen und Synonyme

Pyrimidifen105779-78-0I21MX86B4X5-chloro-N-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethyl-4-pyrimidinamine5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amineDTXSID9057925CHEBI:386045-chloro-N-{2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl}-6-ethylpyrimidin-4-amine5-chloro-n-(2-(4-(2-ethoxyethyl)-2,3-dimethylphenoxy)ethyl)-6-ethylpyrimidin-4-amineRefChem:177751DTXCID4031693600-677-8

Weitere Namen anzeigen

SU-9118-4-amineMITECLEANPyrimedifenPyrimidifen solutionPYRIMIDIFEN STANDARDpyrimidifen (bsi,iso)C16659300 PyrimidifenPyrimidifen Solution, 100ppm

Pyrimidifen [ISO:BSI]UNII-I21MX86B4XPYRIMIDIFEN [ISO]SCHEMBL84281SCHEMBL30179175MSK25074Pyrimidifen 10 |Ig/mL in AcetonitrilePyrimidifen 10 microg/mL in Acetonitrile

Datenbank-Bezeichner

CAS: 105779-78-0
PubChem CID: 6451139
DTXSID: DTXSID9057925
ChEBI: CHEBI:38604
UNII: I21MX86B4X
EC Number: 600-677-8
Nikkaji: J1.029.416I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,9
Polarare Oberfläche (TPSA): 56,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 10
Schwere Atome: 26
Formalladung: 0
Komplexität: 388

Experimentelle und physikochemische Eigenschaften

Pesticides · 2 Einträge

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Not approved

Physikochemische Eigenschaften

Schmelzpunkt: 157 · 157-161℃
Siedepunkt: 535.6 · 535.6±50.0 °C(Predicted)
Dichte: 1.45 · 1.45
storage temp.: 0 · 0-6°C
pka: 4.09 · 4.09±0.10(Predicted)
BRN: 11644658 · 11644658
Henry's Law Constant: 3.6 · 3.6×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Major Application: agricultureenvironmental
InChI: 1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)
InChIKey: ITKAIUGKVKDENI-UHFFFAOYSA-N
SMILES: CCOCCc1ccc(OCCNc2ncnc(CC)c2Cl)c(C)c1C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 68 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301: Toxic if swallowed [Danger Acute toxicity, oral]

Gefahrenhinweise

Hazard Classes and Categories · 3 Einträge

Acute Tox. 3 (100%)

Acute toxicity (Oral) - Category 3

Sicherheitsdaten

wgk: 3
ridadr: UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
risk_code: 22-50/53
hazard_code: Xn,N
safety_code: 60-61
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1