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Name 1,4-Bis(trichloromethyl)benzene
EINECS200-686-3
CAS No. 68-36-0
Density1.628 g/cm³
PSA0.00000
LogP5.34000
SolubilityN/A
Melting Point106-110 °C
FormulaC8H4 Cl6
Boiling Point312 °C
Molecular Weight312.838
Flash Point153 °C
Transport InformationN/A
Appearancelight yellow crystalline powder and chunks
SafetyModerately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl⁻. See also CHLORINATED HYDROCARBONS, AROMATIC.
Risk Codes34
Molecular Structure
Hazard SymbolsC
SynonymsC

1,4-Bis(trichloromethyl)benzene 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℃;

: 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

: 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%

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 .

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Product Name

1,4-Bis(trichloromethyl)benzene

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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