Benoxacor

CGA-154281 · SOFIT · BENOXACOR · primextras · BRN4190275 · BRN 4190275 · BRN-4190275 · Benoxacor 10

Identifikatoren & physikalische Daten

CAS No.	98730-04-2
Summenformel	C11H11Cl2NO2
Durchschnittliche Molmasse	260,11 g/mol
Monoisotopische Masse	259,01668395 g/mol
SMILES	CC1COc2ccccc2N1C(=O)C(Cl)Cl
InChIKey	PFJJMJDEVDLPNE-UHFFFAOYSA-N
PubChem CID	62306
ChEMBL	CHEMBL2269059
ChEBI	CHEBI:3016
EC No.	619-372-6
DTXSID	DTXSID3029572

XLogP	2,8
Polarare Oberfläche (TPSA)	29,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	16
Formalladung	0
Komplexität	273
Pestizide	Pesticide (Benoxacor) -> USDA PDB
Physical Description	Large CrystalsLiquidOther Solid
Schmelzpunkt	105-107°
Siedepunkt	240°C (rough estimate)
Dichte	1.3416 (rough estimate)
Dampfdruck	0.002Pa at 25℃
Brechungsindex	1.6070 (estimate)
Flammpunkt	>107 °C
Lagerbedingungen	0-6°C
Löslichkeit	Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)38mg/L at 25℃
Aggregatzustand	Solid
pKa (Säurekonstante)	1.20±0.40(Predicted)
Farbe	Pale Brown to Light Brown
BRN	4190275
Henry-Konstante	1.3×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C11H11Cl2NO2/c1-7-6-16-9-5-3-2-4-8(9)14(7)11(15)10(12)13/h2-5,7,10H,6H2,1H3
InChIKey	PFJJMJDEVDLPNE-UHFFFAOYSA-N
SMILES	CC1COc2ccccc2N1C(=O)C(Cl)Cl
LogP (Verteilungskoeffizient)	2.6 at 25℃
CAS Datenbank	98730-04-2(CAS DataBase Reference)
NIST chemische Informationen	Benoxacor(98730-04-2)
EPA chemische Informationen	Benoxacor (98730-04-2)

GHS-Einstufung	WarningH317 (82%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 211 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanone, 2,2-dichloro-1-(2,3-dihydro-3-methyl-4H-1,4-benzoxazin-4-yl)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 20-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28351
Hazard Classes and Categories	Skin Sens. 1 (82%)
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29349990
RTECS-Nr.	DM3029000
Toxizität	LD50 (mg/kg): >5000 orally in rats>2010 dermally in rabbitsLC50 in rats (mg/l): >2000 by inhalation (Fed. Regist.)
Lagerklasse	13 - Non Combustible Solids
Gefahrenklasse	Aquatic Chronic 1Skin Sens. 1

Herbicide safener.