S-[2-[(4-Chlorphenyl)(isopropyl)amino]-2-oxoethyl]-O,O-dimethyldithiophosphat

anilophos · RICO · AROZIN · hoe574 · ANILOFOS · hoe30374 · ANILOGUARD · Brn 2395778

Identifikatoren & physikalische Daten

CAS No.	64249-01-0
Summenformel	C13H19ClNO3PS2
Durchschnittliche Molmasse	367,9 g/mol
Monoisotopische Masse	367,0232505 g/mol
SMILES	COP(=S)(OC)SCC(=O)N(c1ccc(Cl)cc1)C(C)C
InChIKey	NXQDBZGWYSEGFL-UHFFFAOYSA-N
PubChem CID	91687
ChEMBL	CHEMBL2252190
ChEBI	CHEBI:81728
EC No.	264-756-5
DTXSID	DTXSID5058149
Lokaler Name	S-[2-[(4-Chlorphenyl)(isopropyl)amino]-2-oxoethyl]-O,O-dimethyldithiophosphat

XLogP	3,8
Polarare Oberfläche (TPSA)	96,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	5
Frei drehbare Bindungen	7
Schwere Atome	21
Formalladung	0
Komplexität	382
Pestizide	Agrochemicals -> Pesticide active substancesActive substance -> EU Pesticides database: Not approvedPesticide (Anilofos) -> USDA PDB
LogP (Verteilungskoeffizient)	3.8
Schmelzpunkt	50~55℃
Siedepunkt	443.6±55.0 °C(Predicted)
Dichte	1.322±0.06 g/cm3(Predicted)
Flammpunkt	>100 °C
Lagerbedingungen	0-6°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	-0.48±0.50(Predicted)
Aggregatzustand	Solid
Farbe	White to off-white
BRN	2395778
Hauptanwendungen	agricultureenvironmental
InChI	1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
InChIKey	NXQDBZGWYSEGFL-UHFFFAOYSA-N
SMILES	COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1
CAS Datenbank	64249-01-0(CAS DataBase Reference)

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	2
UN-Transportnummer	UN 3077
RTECS-Nr.	TD5185000
R-Sätze (R)	22-51/53
Toxizität	LD50 orl-rat: 472 mg/kg PEMNDP 9,36,1991
Gefahrensymbole	XnN,N,Xn
Sicherheitshinweise (S)	60-61
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Agricultural chemical.