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1165-91-9

Basic Information
CAS No.: 1165-91-9
Name: Bis(2,4,6-trichlorophenyl)ethanedioate
Article Data: 8
Molecular Structure:
Molecular Structure of 1165-91-9 (Bis(2,4,6-trichlorophenyl)ethanedioate)
Formula: C14H4Cl6O4
Molecular Weight: 448.901
Synonyms: Ethanedioicacid, bis(2,4,6-trichlorophenyl) ester (9CI);Oxalic acid,bis(2,4,6-trichlorophenyl) ester (7CI,8CI);Phenol, 2,4,6-trichloro-, oxalate(2:1) (8CI);Bis(2,4,6-trichlorophenyl) oxalate;Bis(2,4,6-trichlorophenyl)oxalic acid ester;TCPO (oxalate);bis(2,4,6-trichlorophenyl) ethanedioate;Bis(2,4,6-trichlorophenyl) oxalate;ethanedioic acid, bis(2,4,6-trichlorophenyl) ester;Bis(2,4,6-trichlorophenyl) Oxalate [Chemiluminescence reagent for the determination of fluorescent compounds];
Density: 1.698 g/cm3
Melting Point: 188-192 °C
Boiling Point: 500.9 °C at 760 mmHg
Flash Point: 190.6 °C
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38-21/22
Safety: 26-36/37/
PSA: 52.60000
LogP: 6.11800
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    Bis(2,4,6-trichlorophenyl)ethanedioate

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    1165-91-9 Application:intermediate

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  • Bis(2,4,6-trichlorophenyl) oxalate

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    Bis(2,4,6-trichlorophenyl) oxalate

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    Bis(2,4,6-trichlorophenyl) oxalateAppearance:White crystalline owder Storage:RT Package:variable Application:Chemiluminescence Transportation:By express (Door to door) such as FEDEX, DHL, EMS for small amount. By air(airport to airport) or by sea LCL

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  • Bis(2,4,6-trichlorophenyl) oxalate manufacturer

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    1165-91-9

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  • Bis(2,4,6-trichlorophenyl)oxalate 1165-91-9

  • Casno:

    1165-91-9

    Bis(2,4,6-trichlorophenyl)oxalate 1165-91-9

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  • Bis(2,4,6-trichlorophenyl)ethanedioate

  • Casno:

    1165-91-9

    Bis(2,4,6-trichlorophenyl)ethanedioate

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Specification

The Bis(2,4,6-trichlorophenyl)ethanedioate, with the CAS registry number 1165-91-9, has the systematic name of bis(2,4,6-trichlorophenyl) oxalate. It is a kind of white crystalline powder, and belongs to the following product categories: Oxalates (Chemiluminescence); Analytical Chemistry; Chemiluminescence. And the molecular formula of the chemical is C14H4Cl6O4.

The characteristics of Bis(2,4,6-trichlorophenyl)ethanedioate are as followings: (1)ACD/LogP: 7.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.44; (4)ACD/LogD (pH 7.4): 7.44; (5)ACD/BCF (pH 5.5): 266606.59; (6)ACD/BCF (pH 7.4): 266606.59; (7)ACD/KOC (pH 5.5): 266325.72; (8)ACD/KOC (pH 7.4): 266325.72; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 93.24 cm3; (15)Molar Volume: 264.2 cm3; (16)Polarizability: 36.96×10-24cm3; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.698 g/cm3; (19)Flash Point: 190.6 °C; (20)Enthalpy of Vaporization: 76.96 kJ/mol; (21)Boiling Point: 500.9 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-10 mmHg at 25°C.  

Preparation of Bis(2,4,6-trichlorophenyl)ethanedioate: This chemical can be prepared by 2,4,6-trichloro-phenol and oxalyl dichloride. The reaction will need reagent pyridine, and the menstruum pyridine. The reaction time is 1 hour with temperature of 0°C, and the yield is about 50%. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and it is also harmful in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cc(Cl)cc(Cl)c2OC(=O)C(=O)Oc1c(Cl)cc(Cl)cc1Cl
(2)InChI: InChI=1/C14H4Cl6O4/c15-5-1-7(17)11(8(18)2-5)23-13(21)14(22)24-12-9(19)3-6(16)4-10(12)20/h1-4H
(3)InChIKey: GEVPIWPYWJZSPR-UHFFFAOYAC