CAS No.52820-00-5,Deltamethrin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52820-00-5
Name:	Deltamethrin
Article Data:	14

Formula:	C₂₂H₁₉Br₂NO₃
Molecular Weight:	505.206
Synonyms:	NRDC 156;NRDC 158;RU 22950;
EINECS:	258-256-6
Density:	1.595 g/cm³
Melting Point:	101-102oC
Boiling Point:	535.8 °C at 760 mmHg
Flash Point:	277.8 °C
PSA:	59.32000
LogP:	6.49018

Synthetic route

: 39515-51-0
3-Phenoxybenzaldehyde

: 329-94-2
1,2-diaza-bicyclo[2.2.2]octane

: 59952-40-8, 55710-82-2, 60269-51-4, 61914-49-6, 68198-95-8, 68198-96-9, 73952-09-7, 121313-43-7
2,2-dimethyl-3-(2',2'-dibromovinyl)-cyclopropane-1-carboxylic acid chloride

: 52820-00-5
(-)-α-cyano-3-phenoxybenzyl (+)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate

Conditions

Conditions	Yield
In n-heptane; water	96%

...Expand

: 39515-51-0
3-Phenoxybenzaldehyde

: 59952-40-8, 55710-82-2, 60269-51-4, 61914-49-6, 68198-95-8, 68198-96-9, 73952-09-7, 121313-43-7
2,2-dimethyl-3-(2',2'-dibromovinyl)-cyclopropane-1-carboxylic acid chloride

: 52820-00-5
(-)-α-cyano-3-phenoxybenzyl (+)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate

Conditions

Conditions	Yield
In tetrahydrofuran; water	86%

Total:26 Page 1 of 1 1

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Specification

The Cyclopropanecarboxylicacid, 3-(2, 2-dibromoethenyl)-2, 2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, with the CAS registry number 52820-00-5, is also known as Cyano(3-phenoxyphenyl)methyl 3-(2, 2-dibromoethenyl)-2, 2-dimethylcyclopropanecarboxylate. This chemical's molecular formula is C₂₂H₁₉Br₂NO₃ and molecular weight is 505.2. What's more, its IUPAC name is [Cyano-(3-phenoxyphenyl)methyl] 3-(2, 2-dibromoethenyl)-2, 2-dimethylcyclopropane-1-carboxylate. This chemical's classification codes are Agricultural Chemical; Insecticide; Insecticides; Pesticides. Besides, this chemical is pyrethroid insecticide.

Physical properties about Cyclopropanecarboxylicacid, 3-(2, 2-dibromoethenyl)-2, 2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester are: (1)ACD/LogP: 6.20; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.2; (4)ACD/LogD (pH 7.4): 6.2; (5)ACD/BCF (pH 5.5): 30338.9; (6)ACD/BCF (pH 7.4): 30338.9; (7)ACD/KOC (pH 5.5): 56208.21; (8)ACD/KOC (pH 7.4): 56208.21; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 59.32 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 116 cm³; (15)Molar Volume: 316.7 cm³; (16)Polarizability: 45.98×10^-24 cm³; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.595 g/cm³; (19)Flash Point: 277.8 °C; (20)Enthalpy of Vaporization: 81.23 kJ/mol; (21)Boiling Point: 535.8 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Br/C(Br)=C/C3C(C(=O)OC(C#N)c2cccc(Oc1ccccc1)c2)C3(C)C
(2) InChI: InChI=1/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
(3) InChIKey: OWZREIFADZCYQD-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intravenous	6mg/kg (6mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Archives of Toxicology. Vol. 45, Pg. 325, 1980.
rat	LD50	oral	80mg/kg (80mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	Nature. Vol. 248, Pg. 711, 1974.