Bis(2,4,6-trichlorophenyl) oxalate

Basic Information

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CAS Number

1165-91-9

Molecular Formula

C14H4Cl6O4

Molecular Weight

448.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

188.0 to 193.0 deg-C

Boiling Point

556.17°C (rough estimate)

Flash Point

188-192 ºC

Refractive Index

1.5550 (estimate)

SMILES

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C1=C(C=C(C(=C1Cl)OC(=O)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl

InChI

InChI=1S/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

InChIKey

GEVPIWPYWJZSPR-UHFFFAOYSA-N

LogP

6.117999999999999

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

412

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

C14H4Cl6O4
ANISOTROPINEMETHYLBROMIDE
AM84349
SCHEMBL317719
Bis-tcpo
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
Ethanedioic acid, 1,2-bis(2,4,6-trichlorophenyl) ester
Bis(2,4,6-trichlorophenyl) oxalate, BioReagent, suitable for chemiluminescence, >=99.0% (AT)
MFCD00043061
CS-0035441
AKOS015916014
1165-91-9
J-003458
DTXSID80151403
Q3359026
Oxalic acid bis(2,4,6-trichlorophenyl) ester
GEVPIWPYWJZSPR-UHFFFAOYSA-
BAA16591
FT-0622986
Bis(2,4,6-trichlorophenyl)oxalate
Ethanedioic acid, bis(2,4,6-trichlorophenyl) ester
GEVPIWPYWJZSPR-UHFFFAOYSA-N
A803648
AS-15209
D70496
2,4,6-Trichlorophenyl oxalate
Bis(2,4,6-trichlorophenyl) oxalate
Bis(2,4,6-trichlorophenyl) ethanedioate
Bis(2,4,6-trichlorophenyl)ethanedioate
Ethanedioic acid bis(2,4,6-trichlorophenyl) ester
Bis(2,4,6-trichlorophenyl) Oxalate [Chemiluminescence reagent for the determination of fluorescent compounds]

MDL Number

MFCD00043061

Customs Code

2917119000

FAQ

What are the physical and chemical properties of Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9)?

Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9) is a crystalline solid with a molecular weight of approximately 406.09 g/mol. It is poorly soluble in water but soluble in many organic solvents. It exhibits high stability under normal conditions but can react with strong bases and acids. This compound has a melting point of around 210-215°C and is typically used in industrial applications requiring high thermal stability and chemical resistance.

How is Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9) typically synthesized?

Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9) is synthesized through the reaction of oxalic acid with 2,4,6-trichlorophenol. The synthesis typically involves careful control of temperature and pH to ensure the formation of the desired oxalate ester. The process yields a high purity product with good selectivity and a yield of about 85-90%. Commonly used solvents include toluene and dichloromethane.

What industries use Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9)?

Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9) is primarily used in the electronics industry for the production of high-temperature resistant polymers and as a heat stabilizer in semiconductor applications. It also finds application in the pharmaceutical industry for its unique thermal and chemical properties, making it ideal for use in controlled release drug formulations and sensor technologies.

What precautions should be taken when handling Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9)?

When handling Bis(2,4,6-trichlorophenyl) oxalate (CAS: 1165-91-9), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or within a fume hood due to its potential to release volatile chlorine compounds. In case of spills, immediately clean up any contaminated areas using suitable absorbents and follow the safety data sheet (SDS) guidelines for disposal. Always refer to the most current SDS for specific handling instructions.