CAS No.42721-99-3,Diphacinone,sodium salt Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	42721-99-3
Name:	Diphacinone,sodium salt

Formula:	C₂₃H₁₅O₃^.Na
Molecular Weight:	362.36
Synonyms:	2-Diphenylacetyl-1,3-Indandione Sodium Salt;2-(diphenylacetyl)-1H-indene-1,3(2H)-dione, monosodium salt;
EINECS:	255-918-6
Boiling Point:	528.7 °C at 760 mmHg
Flash Point:	228.5 °C
PSA:	57.20000
LogP:	4.42570

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Specification

This chemical is called 2-(2,2-Diphenylacetyl)-1H-indene-1,3(2H)-dione ion(1-) sodium salt (1:1), and its IUPAC name is sodium 2-(2,2-diphenylacetyl)inden-2-ide-1,3-dione. With the molecular formula of C₂₃H₁₅O₃^.Na, its molecular weight is 362.36. The CAS registry number of this chemical is 42721-99-3, and its product category is Insecticide.

Other characteristics of the 2-(2,2-Diphenylacetyl)-1H-indene-1,3(2H)-dione ion(1-) sodium salt (1:1) can be summarised as followings: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 113.59; (6)ACD/BCF (pH 7.4): 5.51; (7)ACD/KOC (pH 5.5): 519.38; (8)ACD/KOC (pH 7.4): 25.17; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 51.21 Å²; (13)Flash Point: 228.5 °C; (14)Enthalpy of Vaporization: 80.35 kJ/mol; (15)Boiling Point: 528.7 °C at 760 mmHg; (16)Vapour Pressure: 2.91E-11 mmHg at 25°C.

Uses of this chemical: This chemical is usually used for killing the rats in the house, grain storage, factories, vehicles, ships, piers. It can also used for killing the rats in the dry fields, rice fields, forest and grassland.

You can still convert the following datas into molecular structure:
1.SMILES: [Na+].O=C2c1ccccc1C(=O)C2C(=O)C(c3ccccc3)c4ccccc4
2.InChI: InChI=1/C23H16O3.Na/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16;/h1-14,19-20H;/q;+1
3.InChIKey: YCKTVRYJMHFIRH-UHFFFAOYAZ