1,4-Bis(trichloromethyl)benzene supplier

Name
1,4-Bis(trichloromethyl)benzene
EINECS 200-686-3
CAS No. 68-36-0
Density 1.628 g/cm³
Solubility
Melting Point 106-110 °C
Formula C8H4 Cl6
Boiling Point 312 °C
Molecular Weight 312.838
Flash Point 153 °C
Transport Information
Appearance light yellow crystalline powder and chunks
Safety Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, AROMATIC.
Risk Codes 34
Molecular Structure
Hazard Symbols C
Synonyms p-Xylene, a,a,a,a',a',a'-hexachloro- (6CI,7CI,8CI); 1,4-Bis(trichloromethyl)benzene;1,4-di(Trichloromethyl)benzene; Bitriben; Chloksil; Chloxil; Chloxyl; Cloxil;Geksol; Hetol; Hexachloroparaxylol; Hexachloroxylene; Hexichol; Khloxil; NSC41883; p-Bis(perchloromethyl)benzene; p-Bis(trichloromethyl)benzene; a,a,a,a',a',a'-Hexachloro-p-xylene; w,w'-Hexachloro-p-xylene; w-Hexachloro-p-xylene
PSA 0.00000
LogP 5.34000

Synthetic route

: 106-42-3
para-xylene

: 68-36-0
1,4-bis(trichloromethyl)benzene

Conditions

Conditions	Yield
With chlorine at 60 - 180℃; for 13.5h; Temperature;	95.2%
With chlorine at 80 - 180℃; Irradiation;	87.6%
With chlorine at 150℃; Irradiation;

: 104-82-5
4-Methylbenzyl chloride

: 68-36-0
1,4-bis(trichloromethyl)benzene

Conditions

Conditions	Yield
With chlorine at 100℃; Irradiation;

: 50-00-0
formaldehyd

: 108-88-3
toluene

: 68-36-0
1,4-bis(trichloromethyl)benzene

Conditions

Conditions	Yield
With hydrogenchloride; zinc(II) chloride

: 50-00-0
formaldehyd

: 108-88-3
toluene

A: 68-36-0
1,4-bis(trichloromethyl)benzene

B: 2741-57-3
o-dichloromethyltrichloromethylbenzene

Conditions

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

...Expand

: 433-19-2
1,4-bis(trifluoromethyl)benzene

: 68-36-0
1,4-bis(trichloromethyl)benzene

Conditions

Conditions	Yield
With aluminium trichloride

: 106-42-3
para-xylene

: 7782-50-5
chlorine

: 68-36-0
1,4-bis(trichloromethyl)benzene

Conditions

Conditions	Yield
Licht;

: 106-42-3
para-xylene

: 7782-50-5
chlorine

charcoal: charcoal

: 68-36-0
1,4-bis(trichloromethyl)benzene

...Expand

: 67-56-1
methanol

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
at 20℃; for 6h; UV-irradiation;	99%
With zinc(II) chloride

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 95-55-6
2-amino-phenol

: 904-39-2
1,4-bis(2-benzoxazolyl)benzene

Conditions

Conditions	Yield
With PPA at 100 - 150℃; for 6h; Addition;	94%

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 137-07-5
2-amino-benzenethiol

: 5153-65-1
1,4-bis(benzothiazol-2-yl)benzene

Conditions

Conditions	Yield
With PPA at 100 - 150℃; for 6h; Addition;	94%

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 433-19-2
1,4-bis(trifluoromethyl)benzene

Conditions

Conditions	Yield
With hydrogen fluoride at 150℃; under 77574.3 Torr; for 7h;	75%
With hydrogen fluoride at 150 - 210℃;
With hydrogen fluoride; antimonypentachloride at 20℃;
With hydrogen fluoride at 150 - 210℃;

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 14815-86-2
4-trichloromethylbenzoyl chloride

Conditions

Conditions	Yield
With isophthalic acid; zinc(II) chloride at 185℃; for 4.5h;	56%
With iron(III) chloride
With antimonypentachloride; water at 125 - 135℃;
With water; iron(III) chloride at 125 - 135℃;

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 624-84-0
formic acid hydrazide

: 23571-78-0
p-phenylene-2,2′-bis-1,3,4-oxadiazole

Conditions

Conditions	Yield
With pyridine In ethanol for 34h; Heating;	47%

: 54-85-3
isoniazid

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 5,5'-di(4-pyridyl)-1,4-phenylenebis-1,3,4-oxadiazole

Conditions

Conditions	Yield
With pyridine In ethanol for 27h; Heating;	41%

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 121-44-8
triethylamine

: 15394-30-6
N1,N1,N4,N4-tetraethylterephthalamide

Conditions

Conditions	Yield
With heptamethyl Coβ-perchlorato-cob(II)yrinate; tetrabutylammonium perchlorate In acetonitrile at 20℃; for 3h; Electrolysis;	41%

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 936-02-7
2-Hydroxybenzoylhydrazine

: 5,5'-di(2-hydroxyphenyl)-1,4-phenylenebis-1,3,4-oxadiazole

Conditions

Conditions	Yield
With pyridine In ethanol for 19h; Heating;	38%

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 636-97-5
N-amino-(4-nitrophenyl)carboxamide

: 22915-82-8
5,5'-di(4-nitrophenyl)-1,4-phenylenebis-1,3,4-oxadiazole

Conditions

Conditions	Yield
With pyridine In ethanol for 20h; Heating;	36%

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 613-94-5
benzoic acid hydrazide

: 5888-97-1
5,5'-diphenyl-1,4-phenylenebis-1,3,4-oxadiazole

Conditions

Conditions	Yield
With pyridine In ethanol for 21h; Heating;	35%

: 15226-74-1, 61091-28-9, 61117-58-6
dicobalt octacarbonyl

: 68-36-0
1,4-bis(trichloromethyl)benzene

: {Co3(CO)9C}2C6H4

Conditions

Conditions	Yield
In tetrahydrofuran thermal react. of p-(Cl3C)2C6H4 with Co2(CO)8 in THF; ppt. is washed with CH2Cl2, dried in vac., elem. anal.;	10%

: 68-36-0
1,4-bis(trichloromethyl)benzene

A: 13947-94-9
1-(chlorodifluoromethyl)-4-(trifluoromethyl)benzene

B: 2629-68-7
1,4-bis-(difluorochloromethyl)-benzene

C: 13947-95-0
1-fluorodichloromethyl-4-difluorochloromethyl-benzene

Conditions

Conditions	Yield
With hydrogen fluoride In 1,2-dichloro-ethane at 45℃; under 2280.15 Torr; for 10h;	A 3.3% B n/a C 4%

...Expand

: 108-31-6
maleic anhydride

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 5435-44-9, 22243-66-9
(E)-3-Ureido-but-2-enoic acid ethyl ester

: 100-20-9
terephthaloyl chloride

Conditions

Conditions	Yield
at 140℃;

...Expand

: 71-23-8
propan-1-ol

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 1962-74-9
terephthalic acid dipropyl ester

Conditions

Conditions	Yield
With zinc(II) chloride

: 64-17-5
ethanol

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 636-09-9
diethyl terephthalate

Conditions

Conditions	Yield
With zinc(II) chloride

: 78-83-1
2-methyl-propan-1-ol

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 18699-48-4
diisobutyl terephthalate

Conditions

Conditions	Yield
With zinc(II) chloride

: 68-36-0
1,4-bis(trichloromethyl)benzene

: furan-2,3,5(4H)-trione pyridine (1:1)

: 100-21-0
terephthalic acid

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 100-20-9
terephthaloyl chloride

Conditions

Conditions	Yield
With titanium(IV) oxide
With maleic acid; zinc(II) chloride
With water; iron(III) chloride at 125 - 140℃;
With aluminium trichloride; water at 125 - 140℃;
at 125℃; for 1h; Temperature;

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 111-27-3
hexan-1-ol

: 1818-96-8
dihexyl terephthalate

Conditions

Conditions	Yield
With zinc(II) chloride

: 75-77-4
chloro-trimethyl-silane

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 17557-11-8
α,α,α,α',α',α'-hexakis(trimethylsilyl)-1,4-xylol

Conditions

Conditions	Yield
With magnesium
With magnesium 1.) THF, 2.) THF, reflux, 70 h; Yield given. Multistep reaction;

: 100-21-0
terephthalic acid

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 100-20-9
terephthaloyl chloride

Conditions

Conditions	Yield
iron(III) chloride In chlorobenzene at 115℃; Rate constant; Kinetics; Mechanism; activation energy, reaction order;

: 68-36-0
1,4-bis(trichloromethyl)benzene

: 92967-63-0
1,1,2,2-Tetrachlor-1,2-bis-<4-trichlormethyl-phenyl>-aethan

Conditions

Conditions	Yield
With pyridine; copper

1,4-Bis(trichloromethyl)benzene Chemical Properties

IUPAC Name: 1,4-Bis(trichloromethyl)benzene
CAS: 68-36-0
EINECS: 200-686-3
Following is the Molecular Structure of α,α'-Hexachloroxylene (68-36-0):

SMILES: ClC(Cl)(Cl)c1ccc(cc1)C(Cl)(Cl)Cl
InChI: InChI=1/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
InChIKey: OTEKOJQFKOIXMU-UHFFFAOYAN
Std.InChI: InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
Std.InChIKey: OTEKOJQFKOIXMU-UHFFFAOYSA-N
Molecular Formula: C₈H₄Cl₆
Molecular Weight: 312.84
Melting Point: 106-110℃
Boiling Point: 329.7℃ at 760mmHg
Flash Point: 153℃
Molar Volume: 192cm³
Density: 1.628g/cm³
Index of Refraction: 1.584
Molar Refractivity: 64.32cm³
Surface Tension: 44.2dyne/cm
Polarizability: 25.5 10^-24cm³
Enthalpy of Vaporization: 54.95kJ/mol
Vapour Pressure: 0.000334mmHg at 25℃

1,4-Bis(trichloromethyl)benzene Uses

α,α'-Hexachloroxylene (68-36-0) can be used as schistosomicide.

1,4-Bis(trichloromethyl)benzene Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	3200mg/kg (3200mg/kg)		Gigiena Naselennykh Mest. Hygiene in Populated Places. Vol. 21, Pg. 34, 1982.

1,4-Bis(trichloromethyl)benzene Consensus Reports

Reported in EPA TSCA Inventory.

1,4-Bis(trichloromethyl)benzene Safety Profile

Hazard Codes: C Corrosive.
Risk Statements: 34
R34: Causes burns.
Safety Statements: 45-36/37/39-26
S45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RTECS: ZE4655000
Moderately toxic by ingestion. Experimental reproductive effects.

1,4-Bis(trichloromethyl)benzene Specification

α,α'-Hexachloroxylene (68-36-0) also can be called for a,a,a,a',a',a'-Hexachloro-p-xylene ; alpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-p-xylene ; 1,4-Bis(trichloromethyl)benzene ; 1,4-Bis(trichloromethyl)-benzen ; 1,4-Di(trichloromethyl)benzene ; 2,2-Hexachloro-p-xylene ; alpha,alpha,alpha,alpha',alpha',alpha'-Hexachloro-p-xylen .When α,α'-Hexachloroxylene (68-36-0) was heated,it emits toxic fumes of Cl− . α,α'-Hexachloroxylene (68-36-0) is a light yellow crystalline powder.It's insoluble in water but soluble in Ethanol , Xylene and Petroleum ether .

Product Name

1,4-Bis(trichloromethyl)benzene

Synthetic route

1,4-Bis(trichloromethyl)benzene Chemical Properties

1,4-Bis(trichloromethyl)benzene Uses

1,4-Bis(trichloromethyl)benzene Toxicity Data With Reference

1,4-Bis(trichloromethyl)benzene Consensus Reports

1,4-Bis(trichloromethyl)benzene Safety Profile

1,4-Bis(trichloromethyl)benzene Specification

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