Fomesafen supplier | CasNO.72178-02-0

Name
Fomesafen
EINECS 276-439-9
CAS No. 72178-02-0
Article Data10
CAS DataBase
Density 1.574 g/cm³
Solubility
Melting Point 220-221 °C
Formula C₁₅H₁₀ClF₃N₂O₆S
Boiling Point
Molecular Weight 438.768
Flash Point
Transport Information
Appearance White crystalline solid
Safety 2
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms fomesafen TC;Fomesafen 95%;Flex;5-(2-Chloro-4-(trifluoromethyl)phenoxy)-N-(methylsulfonyl)-2-nitrobenzamide sodium salt;Reflex;5-(2-Chloro-alpha,alpha,alpha-trifluoro-p-tolyloxy)-N-methylsulphonyl-2-nitrobenzamide;Sodium fomesafen;Flex sodium;PP021;Fomesafen [ANSI:BSI:ISO];sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitro-benzenecarboximidate;Fomesafene;Benzamide,5-[2-chloro-4-(trifluoromethyl)- phenoxy]-N-(methylsulfonyl)-2-nitro-;Fomesafene [ISO-French];
PSA 126.67000
LogP 5.74360

Fomesafen Specification

The Fomesafen, with the CAS registry number 72178-02-0 and EINECS registry number 276-439-9, has the systematic name of 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide. And the molecular formula of this chemical is C₁₅H₁₀ClF₃N₂O₆S. It is a kind of white crystalline solid, and belongs to the following product categories: Agro-Chemicals; Amide; Herbicide. What's more, it should be stored at 0-6°C.

The physical properties of Fomesafen are as following: (1)ACD/LogP: 2.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.97; (4)ACD/LogD (pH 7.4): 0.94; (5)ACD/BCF (pH 5.5): 1.09; (6)ACD/BCF (pH 7.4): 1.01; (7)ACD/KOC (pH 5.5): 10.21; (8)ACD/KOC (pH 7.4): 9.44; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 117.88 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 90.89 cm³; (15)Molar Volume: 278.7 cm³; (16)Polarizability: 36.03×10^-24cm³; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.574 g/cm³.

Preparation and uses of Fomesafen: It can be prepared by 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid and methylsulfonyl thio isocyanate. And it is used as highly potent, selective herbicides.

You should be cautious while dealing with this chemical. It is harmful if swallowed. Therefore, it should be Kept out of the reach of children.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc(ccc2Oc1cc(C(=O)NS(=O)(=O)C)c([N+]([O-])=O)cc1)C(F)(F)F
(2)InChI: InChI=1/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)
(3)InChIKey: BGZZWXTVIYUUEY-UHFFFAOYAZ

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
duck	LD50	oral	> 5gm/kg (5000mg/kg)	Pesticide Manual. Vol. 9, Pg. 433, 1991.
rabbit	LD50	skin	> 1gm/kg (1000mg/kg)	Pesticide Manual. Vol. 9, Pg. 433, 1991.
rat	LD50	oral	1250mg/kg (1250mg/kg)	Pesticide Manual. Vol. 9, Pg. 433, 1991.

Product Name

Fomesafen

Fomesafen Specification

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