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| CAS No.: | 68-36-0 |
|---|---|
| Name: | 1,4-Bis(trichloromethyl)benzene |
| Molecular Structure: | |
|
|
|
| Formula: | C8H4 Cl6 |
| Molecular Weight: | 312.838 |
| 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 |
| EINECS: | 200-686-3 |
| Density: | 1.628 g/cm3 |
| Melting Point: | 106-110 °C |
| Boiling Point: | 312 °C |
| Flash Point: | 153 °C |
| Appearance: | light yellow crystalline powder and chunks |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | Moderately toxic by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl−. See also CHLORINATED HYDROCARBONS, AROMATIC. |
| PSA: | 0.00000 |
| LogP: | 5.34000 |
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| 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; |
| Conditions | Yield |
|---|---|
| With chlorine at 100℃; Irradiation; |
| 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 | Yield |
|---|---|
| With hydrogenchloride; zinc(II) chloride at 75℃; |
| Conditions | Yield |
|---|---|
| With aluminium trichloride |
| Conditions | Yield |
|---|---|
| Licht; |
- 67-56-1
methanol
- 68-36-0
1,4-bis(trichloromethyl)benzene
- 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester
| Conditions | Yield |
|---|---|
| at 20℃; for 6h; UV-irradiation; | 99% |
| With zinc(II) chloride |
| 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 | Yield |
|---|---|
| With PPA at 100 - 150℃; for 6h; Addition; | 94% |
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Chemistry
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℃
Uses
α,α'-Hexachloroxylene (68-36-0) can be used as schistosomicide.
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. |
Consensus Reports
Reported in EPA TSCA Inventory.
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.
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 .