5-[2-Chlor-4-(trifluormethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamid

amide · 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulphonyl)-2-nitrobenzamide · Fomasafen · formesafen · fomesafene · FLEX · pp021 · REFLEX

https://huagongshe.com/de/chemical/51556

Molekülstruktur von 5-[2-Chlor-4-(trifluormethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamid

Identifikatoren & physikalische Daten

CAS No.	72178-02-0
Summenformel	C15H10ClF3N2O6S
Durchschnittliche Molmasse	438,8 g/mol
Monoisotopische Masse	437,9900194 g/mol
SMILES	CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey	BGZZWXTVIYUUEY-UHFFFAOYSA-N
PubChem CID	51556
ChEMBL	CHEMBL1898629
ChEBI	CHEBI:81925
EC No.	276-439-9
DTXSID	DTXSID7024112
Lokaler Name	5-[2-Chlor-4-(trifluormethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamid

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	127
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	9
Frei drehbare Bindungen	4
Schwere Atome	28
Formalladung	0
Komplexität	693
LogP (Verteilungskoeffizient)	log Kow = 2.9 at pH 1
Dichte	1.28 g/cu cm at 20 °C1.7075 (rough estimate)
Color/Form	White crystalline solid
Löslichkeit	Solubility at 25 °C (mg/mL): propylene glycol 631octanol 12ethyl decanoate 10 /Fomesafen sodium salt/In water, 50 mg/L at 20 °CAcetonitrile (Slightly), DMSO
Corrosivity	Noncorrosive under normal use conditions
Siedepunkt	Clear, pale, yellow odorless liquidBP: 100.6 °C. Incompatible with acids. Soluble in range of organic solvents /Reflex/
Decomposition	When heated to decomposition it emits toxic vapors of /sulfur oxides, nitrogen oxides, hydrogen fluoride and hydrogen chloride/.Decomposed by light.
Schmelzpunkt	220 °C220-221°C
Dampfdruck	0.00000075 [mmHg]<4X10-3 mPa /<3.0X10-8 mm Hg/ at 20 °C
Physical Description	Fomesafen is a white crystalline solid. Used as an herbicide.Colorless or white solid[HSDB]
Stability/Shelf Life	Stable in storage for at least 6 months at 50 degrees C
Dissociation Constants	pKa = 2.83
Brechungsindex	1.5660 (estimate)
Lagerbedingungen	Sealed in dry,2-8°C
Aggregatzustand	Solid
pKa (Säurekonstante)	23-25(at 25℃)
Farbe	White to Off-White
BRN	8165046
Hauptanwendungen	agricultureenvironmental
InChI	InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22)
InChIKey	BGZZWXTVIYUUEY-UHFFFAOYSA-N
SMILES	C(NS(C)(=O)=O)(=O)C1=CC(OC2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1[N+]([O-])=O
CAS Datenbank	72178-02-0(CAS DataBase Reference)
EPA chemische Informationen	Fomesafen (72178-02-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Regulatorische Informationen	Fomesafen + sodium is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Gefahrenübersicht	The protox inhibitor herbicides (Fomesafen, Oxadiazon, Lactofen, Sulfentrazone, Carfentrazone-ethyl, Oxyfluorofen and Bifenox) can disrupt porphyrin metabolismIt has been speculated that a transient form of porphyria variegate may occur following a massive exposure or long-term exposure to lower doses. A mild skin irritantA mild to moderate eye irritant, based on animal studies[HSDB] May cause irritation[MSDSonline] See Fluthiacet-methyl.
Reaktive Gruppe	Amides and ImidesNitro, Nitroso, Nitrate, and Nitrite Compounds, OrganicFluorinated Organic CompoundsAryl Halides
FIFRA-Anforderungen	Tolerances are established for residues of the herbicide fomesafen, including its metabolites and degradates, in or on the following commodities. Compliance with the tolerance levels specified in the following table below is to be determined by measuring only fomesafen, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide, in or on the commodity. [Table#6137]New Active Ingredients ... includes chemicals not previously registered as pesticides, as well as pesticide active ingredients initially registered after November 1, 1984 and that currently have active product registrations. By law, these pesticides must meet new safety standards, such as those described in the Food Quality Protection Act of 1996 and, if new safety standards are met, will be reviewed again on a 15-year cycle. Fomesafen sodium is designated by EPA as a New Pesticide Active Ingredient. Active Ingredient Number: 123802Type of Pesticide: conventional - herbicideUse Site: food use, trees, non-agricultural use

Anwendungen & Verwendung

Verwenden

Fomesafen is a protoporphyrinogen oxidae (PPO) inhibitor.