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1,4-Bis(trichloromethyl)benzene

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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
    Molecular Structure of 68-36-0 (1,4-Bis(trichloromethyl)benzene)
  • Hazard SymbolsC
  • SynonymsC

1,4-Bis(trichloromethyl)benzene Synthetic route

106-42-3

para-xylene

68-36-0

1,4-bis(trichloromethyl)benzene

Conditions
ConditionsYield
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
ConditionsYield
With chlorine at 100℃; Irradiation;
50-00-0

formaldehyd

108-88-3

toluene

68-36-0

1,4-bis(trichloromethyl)benzene

Conditions
ConditionsYield
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
ConditionsYield
With hydrogenchloride; zinc(II) chloride at 75℃;
433-19-2

1,4-bis(trifluoromethyl)benzene

68-36-0

1,4-bis(trichloromethyl)benzene

Conditions
ConditionsYield
With aluminium trichloride
106-42-3

para-xylene

7782-50-5

chlorine

68-36-0

1,4-bis(trichloromethyl)benzene

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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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