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Fomesafen

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Name

Fomesafen

EINECS 276-439-9
CAS No. 72178-02-0 Density 1.574 g/cm3
PSA 126.67000 LogP 5.74360
Solubility N/A Melting Point 220-221 °C
Formula C15H10ClF3N2O6S Boiling Point N/A
Molecular Weight 438.768 Flash Point N/A
Transport Information N/A Appearance White crystalline solid
Safety 2 Risk Codes 22
Molecular Structure Molecular Structure of 72178-02-0 (Fomesafen) Hazard Symbols HarmfulXn
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];

Article Data 10

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) Effect 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.

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