Benzeneaceticacid, 4-chloro-a-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methylester, (aS)- (66230-04-4)

The IUPAC name of Fenvalerate alpha is [(S)-cyano-(3-phenoxyphenyl)methyl](2S)-2-(4-chlorophenyl)-3-methylbutanoate. With the CAS registry number 66230-04-4, it is also named as Esfenvalerate; Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (alphaS)-. The product's categories are insecticide; EQ - EZMethod specific; pesticides;Alpha sort; endocrine disruptors (draft) alphabetic; EPA; oeko-tex standard 100; pesticides& metabolites; pyrethroids. It is white crystalline solid which is soluble in acetone, acetonitrile, chloroform, ethyl acetate, dimethyl formamide, dimethyl sulfoxide, xylene and other organic solvents. Fenvalerate alpha is a kind of pesticide which is highly toxic. It will produce toxic nitrogen oxide and chloride gas when buring. In addition, the storage environment should be ventilate, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.68; (4)ACD/LogD (pH 7.4): 6.68; (5)ACD/BCF (pH 5.5): 69665.47; (6)ACD/BCF (pH 7.4): 69665.47; (7)ACD/KOC (pH 5.5): 101909.01; (8)ACD/KOC (pH 7.4): 101909.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 116.44 cm³; (14)Molar Volume: 346.7 cm³; (15)Polarizability: 46.16×10^-24 cm³; (16)Surface Tension: 47.3 dyne/cm; (17)Enthalpy of Vaporization: 81.62 kJ/mol; (18)Vapour Pressure: 1.11E-11 mmHg at 25°C; (19)Rotatable Bond Count: 8; (20)Exact Mass: 419.128821; (21)MonoIsotopic Mass: 419.128821; (22)Topological Polar Surface Area: 59.3; (23)Heavy Atom Count: 30; (24)Complexity: 586.

Uses of Fenvalerate alpha: It is used for control of a wide range of insect pests on cotton, maize, groundnuts, soya beans, sugar cane, sunflowers, sorghum, fruit trees, vegetables, ornamentals, and noncrop land.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed and may cause sensitization by skin contact, so people should avoid contact with skin.. It is also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste and avoid release to the environment.

People can use the following data to convert to the molecule structure.
1. SMILES: Clc1ccc(cc1)[C@@H](C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3)C(C)C;
2. InChI: InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1.

The following are the toxicity data which has been tested.

The IUPAC name of Fenvalerate alpha is [(S)-cyano-(3-phenoxyphenyl)methyl](2S)-2-(4-chlorophenyl)-3-methylbutanoate. With the CAS registry number 66230-04-4, it is also named as Esfenvalerate; Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-, (S)-cyano(3-phenoxyphenyl)methyl ester, (alphaS)-. The product's categories are insecticide; EQ - EZMethod specific; pesticides;Alpha sort; endocrine disruptors (draft) alphabetic; EPA; oeko-tex standard 100; pesticides& metabolites; pyrethroids. It is white crystalline solid which is soluble in acetone, acetonitrile, chloroform, ethyl acetate, dimethyl formamide, dimethyl sulfoxide, xylene and other organic solvents. Fenvalerate alpha is a kind of pesticide which is highly toxic. It will produce toxic nitrogen oxide and chloride gas when buring. In addition, the storage environment should be ventilate, low-temperature and dry.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 6.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.68; (4)ACD/LogD (pH 7.4): 6.68; (5)ACD/BCF (pH 5.5): 69665.47; (6)ACD/BCF (pH 7.4): 69665.47; (7)ACD/KOC (pH 5.5): 101909.01; (8)ACD/KOC (pH 7.4): 101909.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 116.44 cm³; (14)Molar Volume: 346.7 cm³; (15)Polarizability: 46.16×10^-24 cm³; (16)Surface Tension: 47.3 dyne/cm; (17)Enthalpy of Vaporization: 81.62 kJ/mol; (18)Vapour Pressure: 1.11E-11 mmHg at 25°C; (19)Rotatable Bond Count: 8; (20)Exact Mass: 419.128821; (21)MonoIsotopic Mass: 419.128821; (22)Topological Polar Surface Area: 59.3; (23)Heavy Atom Count: 30; (24)Complexity: 586.

Uses of Fenvalerate alpha: It is used for control of a wide range of insect pests on cotton, maize, groundnuts, soya beans, sugar cane, sunflowers, sorghum, fruit trees, vegetables, ornamentals, and noncrop land.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation and if swallowed and may cause sensitization by skin contact, so people should avoid contact with skin.. It is also very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) This material and its container must be disposed of as hazardous waste and avoid release to the environment.

People can use the following data to convert to the molecule structure.
1. SMILES: Clc1ccc(cc1)[C@@H](C(=O)O[C@H](C#N)c3cccc(Oc2ccccc2)c3)C(C)C;
2. InChI: InChI=1/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m1/s1.

The following are the toxicity data which has been tested.