CAS No.72178-02-0,Fomesafen Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72178-02-0
Name:	Fomesafen
Article Data:	10
Cas Database

Formula:	C₁₅H₁₀ClF₃N₂O₆S
Molecular Weight:	438.768
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];
EINECS:	276-439-9
Density:	1.574 g/cm³
Melting Point:	220-221 °C
Boiling Point:	N/A
Flash Point:	N/A
Solubility:	N/A
Appearance:	White crystalline solid
Hazard Symbols:	Xn
Risk Codes:	22
Safety:	2
Transport Information:	N/A
PSA:	126.67000
LogP:	5.74360

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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.