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CAS No.: | 52820-00-5 |
---|---|
Name: | Deltamethrin |
Article Data: | 14 |
Molecular Structure: | |
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 |
3-Phenoxybenzaldehyde
1,2-diaza-bicyclo[2.2.2]octane
2,2-dimethyl-3-(2',2'-dibromovinyl)-cyclopropane-1-carboxylic acid chloride
(-)-α-cyano-3-phenoxybenzyl (+)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate
Conditions | Yield |
---|---|
In n-heptane; water | 96% |
3-Phenoxybenzaldehyde
2,2-dimethyl-3-(2',2'-dibromovinyl)-cyclopropane-1-carboxylic acid chloride
(-)-α-cyano-3-phenoxybenzyl (+)-cis-3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylate
Conditions | Yield |
---|---|
In tetrahydrofuran; water | 86% |
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. |