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2D Structure
Also known as: 68-36-0, Bitriben, Chloksil, Chloxil, Chloxyl, Cloxil
Molecular Formula
C8H4Cl6
Molecular Weight
312.8  g/mol
InChI Key
OTEKOJQFKOIXMU-UHFFFAOYSA-N
FDA UNII
42CH2735EU

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,4-bis(trichloromethyl)benzene
2.1.2 InChI
InChI=1S/C8H4Cl6/c9-7(10,11)5-1-2-6(4-3-5)8(12,13)14/h1-4H
2.1.3 InChI Key
OTEKOJQFKOIXMU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
42CH2735EU
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Chloxyl

2. Hetol

3. Hexachloro-4-xylene

4. Hexachloro-p-xylene

5. Hexachloroparaxylol

2.3.2 Depositor-Supplied Synonyms

1. 68-36-0

2. Bitriben

3. Chloksil

4. Chloxil

5. Chloxyl

6. Cloxil

7. Hexichol

8. Khloksil

9. Khloxil

10. Hetol

11. Benzene, 1,4-bis(trichloromethyl)-

12. Hexachloroparaxylol

13. P-di(trichloromethyl)benzene

14. P-bis(perchloromethyl)benzene

15. P-bis(trichloromethyl)benzene

16. Hexachloroparaxylene

17. Alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-p-xylene

18. 2,2-hexachloro-p-xylene

19. 1,4-di(trichloromethyl)benzene

20. Hexachloroxylene

21. Nsc 41883

22. .omega.-hexachloro-p-xylene

23. 42ch2735eu

24. .alpha.,.alpha.'-hexachloroxylene

25. 1,4-bis-(trichloromethyl)-benzene

26. Nsc-41883

27. .alpha.,.alpha.'-hexachloro-p-xylene

28. .omega.,.omega.'-hexachloro-p-xylene

29. Hexachloro-4-xylene

30. Benzene, 1,4-bis[trichloromethyl]-

31. .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexachloro-p-xylene

32. P-xylene, .alpha.,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexachloro-

33. Alpha,alpha'-hexachloroxylene

34. 1,4-bis-trichloromethyl Benzene

35. Hsdb 5202

36. P-xylene, Alpha,alpha'-hexachloro-

37. Einecs 200-686-3

38. Brn 2051282

39. Unii-42ch2735eu

40. Ai3-02587

41. Dsstox_cid_6366

42. Dsstox_rid_78105

43. Dsstox_gsid_26366

44. 4-05-00-00968 (beilstein Handbook Reference)

45. Schembl545084

46. P-xylene,.alpha.'-hexachloro-

47. Chembl3182002

48. Dtxsid7026366

49. 1:4-bis(trichloromethyl)benzene

50. Benzene,4-bis(trichloromethyl)-

51. 1,4-bis-(trichloromethyl)benzene

52. P-xylene, Alpha,alpha,alpha,alpha',alpha',alpha'-hexachloro-

53. Nsc41883

54. Zinc1673615

55. Hexachloroparaxylene [mart.]

56. Tox21_200257

57. Mfcd00000791

58. 1,4-hexachlorodimethyl-benzene

59. Akos016347403

60. Cas-68-36-0

61. Ncgc00248579-01

62. Ncgc00257811-01

63. As-75866

64. P-xylene, .alpha.,.alpha.'-hexachloro-

65. Db-030690

66. Ft-0606804

67. H0064

68. 1,4-bis(trichloromethyl)benzene [mi]

69. 1,4-bis(trichloromethyl)benzene [hsdb]

70. D90791

71. P-xylene,.alpha.,.alpha.'-hexachloro-

72. A836117

73. Q4498147

74. W-104677

75. .alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexachloro-p-xylene

76. P-xylene,.alpha.,.alpha.,.alpha.',.alpha.',.alpha.'-hexachloro-

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 312.8 g/mol
Molecular Formula C8H4Cl6
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass311.841466 g/mol
Monoisotopic Mass309.844416 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Therapeutic Uses

Anthelmintics; Antiplatyhelmintic Agents

National Library of Medicine's Medical Subject Headings online file (MeSH, 1999)


MEDICATION (VET): ANTHELMINTIC. HETOL IS USUALLY 85% CONCN OF DRUG. ... USE: TO KILL LIVER FLUKES IN CATTLE & SHEEP.

Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 48


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Anthelmintics

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal. (See all compounds classified as Anthelmintics.)


Antiplatyhelmintic Agents

Agents used to treat cestode, trematode, or other flatworm infestations in man or animals. (See all compounds classified as Antiplatyhelmintic Agents.)


5.2 Absorption, Distribution and Excretion

HEXACHLORO-P-XYLENE RESIDUES WERE HIGH IN MILK AFTER ADMIN OF AGRAMED NEU TO CATTLE. HEXACHLORO-P-XYLENE WAS LIPOPHILIC AND STABLE. RESIDUES AVERAGED 10 MG/KG ON 2ND DAY AFTER TREATMENT & 0.1 MG/KG 40 DAYS AFTER TREATMENT.

KONRAD H ET AL; MONATSH VETERINAERMED 33(18) 704 (1978)