Rafoxanid

N-[3-chloro-4-(4-chlorophenoxy)phenyl]-3,5-diiodobenzamide · duofas · mk-990 · Ranide · Disalan · Rezonit · bovanide · flukanide

Identifikatoren & physikalische Daten

CAS No.	22662-39-1
Summenformel	C19H11Cl2I2NO3
Durchschnittliche Molmasse	626 g/mol
Monoisotopische Masse	624,82054457 g/mol
SMILES	O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(Cl)c1)c1cc(I)cc(I)c1O
InChIKey	NEMNPWINWMHUMR-UHFFFAOYSA-N
PubChem CID	31475
ChEMBL	CHEMBL287542
ChEBI	CHEBI:234200
EC No.	245-148-9
DTXSID	DTXSID5046227
Lokaler Name	Rafoxanid

XLogP	7
Polarare Oberfläche (TPSA)	58,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	27
Formalladung	0
Komplexität	507
Schmelzpunkt	168-170°
Siedepunkt	526.6±50.0 °C(Predicted)
Dichte	2.050±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,2-8°C
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
pKa (Säurekonstante)	6.04±0.48(Predicted)
Aggregatzustand	Solid
Farbe	White to Off-White
Merck	14,8097
Hauptanwendungen	agricultureenvironmental
InChI	InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)
InChIKey	NEMNPWINWMHUMR-UHFFFAOYSA-N
SMILES	C(NC1=CC=C(OC2=CC=C(Cl)C=C2)C(Cl)=C1)(=O)C1=CC(I)=CC(I)=C1O
CAS Datenbank	22662-39-1(CAS DataBase Reference)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 6.5% (2 of 31) of reports.DangerH360D (90.3%): May damage the unborn child [Danger Reproductive toxicity]P203, P260, P264, P270, P280, P308+P316, P318, P319, P321, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 31 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Weitere Sicherheitsinformationen	IMAP assessments - Benzamide, N-[3-chloro-4-(4-chlorophenoxy)phenyl]-2-hydroxy-3,5-diiodo-: Environment tier I assessment
Hazard Classes and Categories	Repr. 1B (90.3%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2924.29.7790
RTECS-Nr.	VN7870000
Lagerklasse	11 - Combustible Solids

Rafoxanide is a thyroid hormone receptor.