CAS 68-36-0

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CHEMISTRY

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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

CAS 68-36-0

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 Formula	C₈H₄Cl₆
Molecular Weight	312.8 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	311.841466 g/mol
Monoisotopic Mass	309.844416 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	161
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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)

BUILDING BLOCK

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