CAS No.102851-06-9,Tau-fluvalinate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	102851-06-9
Name:	Tau-fluvalinate
Article Data:	3

Formula:	C₂₆H₂₂ClF₃N₂O₃
Molecular Weight:	502.92
Synonyms:	Apistan;Fluvarol;Fluwarol;Klartan;Mavrik;Mavrik 25EC;Mavrik 2E;Mavrik Aquaflow;Minadox;Spur;Spur 22EW;Tau-fluvalinate;t-Fluvalinate;
Density:	1.312 g/cm³
Boiling Point:	566.2 °C at 760 mmHg
Flash Point:	296.2 °C
Solubility:	0.001 mg l-1 (20 °C)
Hazard Symbols:	Xn; N
Risk Codes:	22-38-50/53
Safety:	24-59-61
Transport Information:	UN2810 6.1/PG 3
PSA:	71.35000
LogP:	7.46868

Synthetic route

: (R)-2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoic acid

: 124-63-0
methanesulfonyl chloride

: 39515-51-0
3-Phenoxybenzaldehyde

: 102851-06-9
(RS)-α-cyano-3-phenoxybenzyl (R)-2-(2-chloro-4-trifluoromethylphenylamino)-3-methylbutanoate

Conditions

Conditions	Yield
With dmap; aqueous KOH In 1-methyl-pyrrolidin-2-one; hexane; water; toluene	92.1%

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Specification

The D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester, with CAS registry number 102851-06-9, belongs to the following product category: Insecticide. It has the systematic name of cyano(3-phenoxyphenyl)methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-D-valinate. And its classification code is Pesticide.

Physical properties of D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester: (1)ACD/LogP: 7.31; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 7.31; (4)ACD/LogD (pH 7.4): 7.31; (5)ACD/BCF (pH 5.5): 212947.64; (6)ACD/BCF (pH 7.4): 212947.64; (7)ACD/KOC (pH 5.5): 226753.06; (8)ACD/KOC (pH 7.4): 226753.06; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 62.56 Å²; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 126.07 cm³; (15)Molar Volume: 383 cm³; (16)Polarizability: 49.97×10^-24cm³; (17)Surface Tension: 44.2 dyne/cm; (18)Enthalpy of Vaporization: 85.03 kJ/mol; (19)Vapour Pressure: 7.71E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The D-Valine,N-[2-chloro-4-(trifluoromethyl)phenyl]-, cyano(3-phenoxyphenyl)methyl ester is harmful if swallowed. It irritates to skins, so avoid contact with skin. This chemical is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. When use it, avoid release to the environment. Refer to special instructions / safety data sheets. Refer to manufacturer / supplier for information on recovery / recycling.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3cc(ccc3N[C@@H](C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C(C)C)C(F)(F)F
(2)InChI: InChI=1/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
(3)InChIKey: INISTDXBRIBGOC-XMMISQBUBP
(4)Std. InChI: InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
(5)Std. InChIKey: INISTDXBRIBGOC-XMMISQBUSA-N