Dipropetryn

Sancap · Cotofer · Cotofor · GS 16068 · gs-16068 · SANCAP(R) · ipropetryn · DIPROPETRYN

Identifikatoren & physikalische Daten

CAS No.	4147-51-7
Summenformel	C11H21N5S
Durchschnittliche Molmasse	255,39 g/mol
Monoisotopische Masse	255,15176686 g/mol
SMILES	CCSc1nc(NC(C)C)nc(NC(C)C)n1
InChIKey	NPWMZOGDXOFZIN-UHFFFAOYSA-N
PubChem CID	20105
ChEBI	CHEBI:82223
EC No.	223-973-5
DTXSID	DTXSID9037533
Lokaler Name	Dipropetryn

XLogP	3,9
Polarare Oberfläche (TPSA)	88
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	6
Frei drehbare Bindungen	6
Schwere Atome	17
Formalladung	0
Komplexität	194
Pestizide	Pesticide (Dipropetryn) -> USDA PDB
LogP (Verteilungskoeffizient)	3.81
Human Drugs	Pharmaceuticals
Schmelzpunkt	105℃
Siedepunkt	413.0±28.0 °C(Predicted)
Dichte	1.1606 (rough estimate)
Brechungsindex	1.5500 (estimate)
pKa (Säurekonstante)	3.78±0.41(Predicted)
Löslichkeit	16mg/L(room temperature)
Merck	13,3376
BRN	614796
Henry-Konstante	6.0×102 mol/(m3Pa) at 25℃, Hilal et al. (2008)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C11H21N5S/c1-6-17-11-15-9(12-7(2)3)14-10(16-11)13-8(4)5/h7-8H,6H2,1-5H3,(H2,12,13,14,15,16)
InChIKey	NPWMZOGDXOFZIN-UHFFFAOYSA-N
SMILES	CCSc1nc(NC(C)C)nc(NC(C)C)n1
EPA chemische Informationen	Dipropetryn (4147-51-7)

GHS-Einstufung	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 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Aquatic Chronic 2 (100%)
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN3077 9/PG 3
RTECS-Nr.	XY4100000
R-Sätze (R)	51/53
Toxizität	LC50 (96-hour) for rainbow trout 2.7 mg/L and bluegill sunsh 1.6 mg/L (Hartley and Kidd, 1987)acute oral LD50 for rats 3,900–5,000 mg/kg (Hartley and Kidd, 1987), 7,144 mg/kg (RTECS, 1985).
Gefahrensymbole	N
Sicherheitshinweise (S)	60
Lagerklasse	11 - Combustible Solids

Dipropetryn PESTANAL, analytical standard