2741-57-3

Basic information

• Product Name: ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE
• Synonyms: 056 emulsion;1-(DICHLOROMETHYL)-2-(TRICHLOROMETHYL)BENZENE;ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE;1(dichloromethyl)-2-(dichloromethyl)benzene;1-(Dichoromethyl)-2-(trichloromethyl)benzene;|,|,|,|',|'-Pentachloro-2-xylene;1-(Trichloromethyl)-2-(dichloromethyl)benzene;α,α,α,α',α'-Pentachloro-o-xylene
• CAS NO: 2741-57-3
• Molecular Formula: C₈H₅Cl₅
• Molecular Weight: 278.39
• EINECS: 220-371-4
• Product Categories: Benzene derivates
• Mol File: 2741-57-3.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 310.16 °C at 760 mmHg
• Flash Point: 142.074 °C
• Appearance: /
• Density: 1.541 g/cm³
• Vapor Pressure: 0.00112mmHg at 25°C
• Refractive Index: 1.577
• CAS DataBase Reference: ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE(CAS DataBase Reference)
• NIST Chemistry Reference: ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE(2741-57-3)
• EPA Substance Registry System: ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE(2741-57-3)

Safety Data

• Hazardous Substances Data: 2741-57-3(Hazardous Substances Data)

Usage

General Description

ALPHA,ALPHA,ALPHA,ALPHA',ALPHA'-PENTACHLORO-2-XYLENE, also known as PCMX, is a chemical compound that belongs to the group of chlorinated hydrocarbons. It is used primarily as a disinfectant and antiseptic, commonly found in healthcare settings in products such as hand soaps, hand sanitizers, and surgical scrubs. PCMX is effective against a wide range of bacteria and fungi, making it a popular choice for use in controlling and preventing infections. However, it is important to note that PCMX should be used with caution, as prolonged or excessive exposure can be harmful to human health and the environment.

InChI:InChI=1/C8H5Cl5/c9-7(10)5-3-1-2-4-6(5)8(11,12)13/h1-4,7H

Synthetic route

α,α,α',α'-tetrachloro-o-xylene (25641-99-0) → o-dichloromethyltrichloromethylbenzene (2741-57-3)

Conditions	Yield
With chlorine In tetrachloromethane for 24h; Heating; Irradiation;	12.5%

o-xylene (95-47-6) → o-dichloromethyltrichloromethylbenzene (2741-57-3)

Conditions	Yield
With phosphorus pentachloride at 200℃; im Einschlussrohr;
With chlorine at 100 - 200℃; Irradiation;
With chlorine at 90 - 110℃; under 75.0075 Torr; UV-irradiation; Inert atmosphere;
With chlorine at 100 - 200℃; Irradiation;

formaldehyd (50-00-0) + toluene (108-88-3) → 1,4-bis(trichloromethyl)benzene (68-36-0) + o-dichloromethyltrichloromethylbenzene (2741-57-3)

Conditions	Yield
With hydrogenchloride; zinc(II) chloride at 75℃;

tetrachloromethane (56-23-5) + o-xylene (95-47-6) + chlorine (7782-50-5) → o-dichloromethyltrichloromethylbenzene (2741-57-3)

Conditions	Yield
at 60 - 70℃; Licht einer Gluehlampe;

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 3-chloro-1(3H)-isobenzofuranone (6295-21-2)

Conditions	Yield
With maleic acid; zinc(II) chloride at 135℃;

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 1-difluoromethyl-2-trifluoromethyl-benzene (312-95-8)

Conditions	Yield
With hydrogen fluoride
With hydrogen fluoride

o-dichloromethyltrichloromethylbenzene (2741-57-3) + (E)-3-Ureido-but-2-enoic acid ethyl ester (5435-44-9, 22243-66-9) + maleic acid (110-16-7) → 3-chloro-1(3H)-isobenzofuranone (6295-21-2)

Conditions	Yield
at 135℃;

o-dichloromethyltrichloromethylbenzene (2741-57-3) → o-trifluoromethyl-α,α-dichlorotoluene (707-72-2)

Conditions	Yield
With hydrogen fluoride
With hydrogen fluoride at 80℃; under 12001.2 - 16501.7 Torr; Autoclave;

o-dichloromethyltrichloromethylbenzene (2741-57-3) + anhydrous HF → 1-difluoromethyl-2-trifluoromethyl-benzene (312-95-8)

o-dichloromethyltrichloromethylbenzene (2741-57-3) + water (7732-18-5) → o-carboxybenzaldehyde (119-67-5)

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 2-Trifluoromethylbenzaldehyde (447-61-0)

Conditions	Yield
Multi-step reaction with 2 steps 1: anhydrous HF 2: concentrated sulfuric acid / 90 - 120 °C View Scheme
Multi-step reaction with 2 steps 1: hydrogen fluoride / 80 °C / 12001.2 - 16501.7 Torr / Autoclave 2: water; sulfuric acid / 80 - 85 °C View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 1-(chloro-difluoro-methyl)-2-trifluoromethyl-benzene (312-91-4)

Conditions	Yield
Multi-step reaction with 2 steps 1: anhydrous HF 2: chlorine View Scheme
Multi-step reaction with 2 steps 1: hydrogen fluoride 2: chlorine View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 2-trifluoromethylbenzoyl chloride (312-94-7)

Conditions	Yield
Multi-step reaction with 3 steps 1: anhydrous HF 2: concentrated sulfuric acid / 90 - 120 °C 3: chlorine View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 4-nitrophthalic acid (610-27-5)

Conditions	Yield
Multi-step reaction with 5 steps 1: HF 2: Cl2 / Irradiation 3: HF 4: HNO3, H2SO4 5: H2SO4 / 195 - 205 °C View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 1,2-bis(trifluoromethyl)benzene (433-95-4)

Conditions	Yield
Multi-step reaction with 3 steps 1: HF 2: Cl2 / Irradiation 3: HF View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 3-nitrophthalic acid (603-11-2)

Conditions	Yield
Multi-step reaction with 5 steps 1: HF 2: Cl2 / Irradiation 3: HF 4: HNO3, H2SO4 5: H2SO4 / 150 °C View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 3,4-Bis(trifluoromethyl)aniline (2965-07-3)

Conditions	Yield
Multi-step reaction with 5 steps 1: HF 2: Cl2 / Irradiation 3: HF 4: HNO3, H2SO4 5: H2 / Raney-Ni View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → trichloromethyl-trifluoromethyl-benzene (651-36-5)

Conditions	Yield
Multi-step reaction with 2 steps 1: HF 2: Cl2 / Irradiation View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 1,2-Bis(trifluoromethyl)-3-nitrobenzene (1978-06-9)

Conditions	Yield
Multi-step reaction with 4 steps 1: HF 2: Cl2 / Irradiation 3: HF 4: HNO3, H2SO4 View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 3,4-bis(trifluoromethyl)nitrobenzene (1978-20-7)

Conditions	Yield
Multi-step reaction with 4 steps 1: HF 2: Cl2 / Irradiation 3: HF 4: HNO3, H2SO4 View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 2,3 ditrifluoromethylaniline (3822-20-6)

Conditions	Yield
Multi-step reaction with 5 steps 1: HF 2: Cl2 / Irradiation 3: HF 4: HNO3, H2SO4 5: H2 / Raney-Ni View Scheme

o-dichloromethyltrichloromethylbenzene (2741-57-3) → 1-chloro-2-(trifluoromethyl)benzene (88-16-4)

Conditions	Yield
Multi-step reaction with 2 steps 1: HF 2: Cl2 / Irradiation View Scheme

Upstream product

• 50-00-0 formaldehyd 
• 108-88-3 toluene 
• 56-23-5 tetrachloromethane 
• 95-47-6 o-xylene 
• 7782-50-5 chlorine 
• 25641-99-0 α,α,α',α'-tetrachloro-o-xylene 

Downstream Products

• 6295-21-2 3-chloro-1(3H)-isobenzofuranone 
• 312-95-8 1-difluoromethyl-2-trifluoromethyl-benzene 
• 119-67-5 o-carboxybenzaldehyde 
• 447-61-0 2-Trifluoromethylbenzaldehyde 
• 312-94-7 2-trifluoromethylbenzoyl chloride 
• 707-72-2 o-trifluoromethyl-α,α-dichlorotoluene 
• 433-97-6 2-trifluoromethylbenzoic acid 
• 88-16-4 1-chloro-2-(trifluoromethyl)benzene 
• 3822-20-6 2,3-ditrifluoromethylaniline 
• 1978-20-7 3,4-bis(trifluoromethyl)nitrobenzene 
• 1978-06-9 1,2-Bis(trifluoromethyl)-3-nitrobenzene 
• 651-36-5 trichloromethyl-trifluoromethyl-benzene 
• 2965-07-3 3,4-Bis(trifluoromethyl)aniline 
• 603-11-2 3-nitrophthalic acid 

Relevant articles and documents

A O-trifluoro methyl process for the preparation of formaldehyde

The invention discloses a method for preparing o-trifluoromethyl benzaldehyde. The method for preparing the o-trifluoromethyl benzaldehyde, disclosed by the invention, comprises the following steps: in the presence of a catalyst, carrying out hydrolysis reaction on a mixture of o-trifluoromethyl methylbenzene bichloride, o-trifluoromethyl chloro-fluoro-methylbenzene and o-trifluoromethyl methylbenzene difluoride and water at the temperature of 80-150 DEG C to obtain, wherein the mass of the catalyst accounts for 0.01-10% of the mass of the mixture. The method disclosed by the invention is cheap and easily available in raw materials, low in cost, little in wastewater, low in energy consumption and simple in operation and can be suitable for industrial production. The structural formula of the o-trifluoromethyl benzaldehyde is shown in the specification.