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2-(2,2-Diphenylacetyl)-1H-indene-1,3(2H)-dione ion(1-) sodium salt (1:1)

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Name

2-(2,2-Diphenylacetyl)-1H-indene-1,3(2H)-dione ion(1-) sodium salt (1:1)

EINECS 255-918-6
CAS No. 42721-99-3 Density N/A
PSA 57.20000 LogP 4.42570
Solubility N/A Melting Point N/A
Formula C23H15O3.Na Boiling Point 528.7 °C at 760 mmHg
Molecular Weight 362.36 Flash Point 228.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 42721-99-3 (Diphacinone,sodium salt) Hazard Symbols N/A
Synonyms

2-Diphenylacetyl-1,3-Indandione Sodium Salt;2-(diphenylacetyl)-1H-indene-1,3(2H)-dione, monosodium salt;

 

2-(2,2-Diphenylacetyl)-1H-indene-1,3(2H)-dione ion(1-) sodium salt (1:1) 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

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