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68085-85-8

Basic Information
CAS No.: 68085-85-8
Name: Cyhalothrin
Article Data: 11
Molecular Structure:
Molecular Structure of 68085-85-8 (Cyhalothrin)
Formula: C23H19ClF3NO3
Molecular Weight: 449.857
Synonyms: Cyclopropanecarboxylicacid, 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethyl-,cyano(3-phenoxyphenyl)methyl ester (9CI);Clocythrin;Coopertix;Gongfu;Grenade;ICI-PP 563;PP 563;Saber;a-Cyano-3-phenoxybenzyl3-(2-chloro-3,3,3-trifluoroprop-1-en-1-yl)-2,2-dimethylcyclopropanecarboxylate;
EINECS: 268-450-2
Density: 1.344 g/cm3
Melting Point: 49.2oC
Boiling Point: 498.9 ºC at 760 mmHg
Flash Point: 255.5 ºC
Solubility: 0.004 mg l-1 (20 °C)
Appearance: Colorless solid
Hazard Symbols: FlammableF;HarmfulXn
Risk Codes: 11-20/21/22-36
Safety: 26-36/37
PSA: 59.32000
LogP: 6.54398
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Specification

The Cyhalothrin, with its CAS registry number 68085-85-8, has the IUPAC name of [cyano-(3-phenoxyphenyl)methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate. This chemical is a kind of colorless solid and it is insoluble in water. Then it could also be used as the wide spectrum insecticide. Besides, its product categories are including Acaricides Pesticides & Metabolites; Alpha Sort; C; CAlphabetic; CO - CZMethod Specific; Insecticides; Oeko-Tex Standard 100; Pesticides; Pesticides & Metabolites; Pesticides Pesticides.

The characteristics of Cyhalothrin are as follows: (1)ACD/LogP: 6.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 30433.39; (6)ACD/BCF (pH 7.4): 30433.39; (7)ACD/KOC (pH 5.5): 56333.5; (8)ACD/KOC (pH 7.4): 56333.5; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59.32; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 110.48 cm3; (15)Molar Volume: 334.6 cm3; (16)Polarizability: 43.79×10-24 cm3; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.344 g/cm3; (19)Flash Point: 255.5 °C; (20)Enthalpy of Vaporization: 76.72 kJ/mol; (21)Boiling Point: 498.9 °C at 760 mmHg; (22)Vapour Pressure: 4.35E-10 mmHg at 25°C; (23)Exact Mass: 449.100556; (24)MonoIsotopic Mass: 449.100556; (25)Topological Polar Surface Area: 59.3; (26)Heavy Atom Count: 31.

When you are dealing with this chemical, you should be careful. For one thing, it is harmful which may cause damage to health. This chemical is irritating to eyes and may be very dangerous if by inhalation, in contact with skin and if swallowed. For another thing, it is highly flammable which may catch fire in contact with air, only needing brief contact with an ignition source, and it also has a very low flash point or evolve highly flammable gases in contact with water. Therefore, you should wear suitable protective clothing and gloves. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C
(2)Isomeric SMILES: CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
(3)InChI: InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-
(4)InChIKey: ZXQYGBMAQZUVMI-UNOMPAQXSA-N 

Below are the toxicity information of this chemical:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 201, 1991.
guinea pig LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 201, 1991.
rabbit LD50 oral > 1gm/kg (1000mg/kg)   Pesticide Manual. Vol. 9, Pg. 201, 1991.
rabbit LD50 skin > 2500mg/kg (2500mg/kg)   Pesticide Manual. Vol. 9, Pg. 201, 1991.
rat LC50 inhalation 83mg/m3/4H (83mg/m3)   Pesticide Manual. Vol. 9, Pg. 201, 1991.
rat LD50 oral 144mg/kg (144mg/kg)   Pesticide Manual. Vol. 9, Pg. 201, 1991.