5836-29-3

The Endrocide with CAS registry number of 5836-29-3 is also called 3-(a-Tetralyl)-4-hydroxycoumarin. The IUPAC name is 2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one. Its EINECS registry number is 227-424-0. In addition, the molecular formula is C₁₉H₁₆O₃ and the molecular weight is 292.33. It is a kind of yellowish-white crystalline powder and belongs to the classes of Insecticide; Alpha sort; C; CAlphabetic; CO - CZ Pesticides & Metabolites; Pesticides; Pesticides & Metabolites; Rodenticides.

Physical properties about this chemical are: (1)ACD/LogP: 4.35 ; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 403; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 1292; (7)ACD/KOC (pH 7.4): 22; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.53 Å²; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 82.432 cm³; (14)Molar Volume: 219.981 cm³; (15)Polarizability: 32.678 ×10^-24cm³; (16)Surface Tension: 61.491 dyne/cm; (17)Density: 1.329 g/cm³; (18)Flash Point: 214.255 °C; (19)Enthalpy of Vaporization: 81.238 kJ/mol; (20)Boiling Point: 502.438 °C at 760 mmHg.

Preparation and uses of Endrocide: it can be prepared by 4-hydroxycoumarin and α-tetrahydronaphthol with glacial acetic acid. You should add sulfuric acid into the mixture at reaction temperature of 100 °C slowly. And the reaction time is 1 hour at temperature of 110-120 °C. Then after a series of extraction with ether, alkalization and acidification you can get the desired product. It is the first-generation anticoagulant rodenticide which can control home rodent and wild rodent.

When you are using this chemical, please be cautious about it as the following:
This chemical has danger of serious damage to health by prolonged exposure in contact with skin and if swallowed. And it is harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. During using it, wear suitable protective clothing and gloves. If it contact with skin, you should wash it immediately with plenty of soap-suds. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible). And you should avoid release to the environment. What's more, you can refer to special instructions safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: OC=1c4ccccc4OC(=O)C=1C3CCCc2ccccc23
(2)InChI: InChI=1/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2d
(3)InChIKey: ULSLJYXHZDTLQK-UHFFFAOYAA

The toxicity data is as follows: