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MolPort-001-783-371

MolPort-001-783-371

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Also known as: 92-94-4, 1,4-diphenylbenzene, 1,1':4',1''-terphenyl, P-diphenylbenzene, P-triphenyl, Santowax p

Molecular Formula

C₁₈H₁₄

Molecular Weight

230.3 g/mol

InChI Key

XJKSTNDFUHDPQJ-UHFFFAOYSA-N

FDA UNII

GWP218ZY6F

1 2D Structure

MolPort-001-783-371

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,4-diphenylbenzene

2.1.2 InChI

InChI=1S/C18H14/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1-14H

2.1.3 InChI Key

XJKSTNDFUHDPQJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

GWP218ZY6F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 92-94-4

2. 1,4-diphenylbenzene

3. 1,1':4',1''-terphenyl

4. P-diphenylbenzene

5. P-triphenyl

6. Santowax P

7. 4-phenylbiphenyl

8. 4-phenyldiphenyl

9. Para-terphenyl

10. Biphenyl, 4-phenyl-

11. 1,1'-biphenyl, 4-phenyl-

12. Nsc 6810

13. Ptp

14. 4-phenyl-1,1'-biphenyl

15. Gwp218zy6f

16. Chembl491582

17. Chebi:52242

18. Nsc-6810

19. Pyrogallol Tannin

20. Tannin From Pyrogallol

21. P-terphenyl Suitable For Scintillation

22. Ccris 1657

23. Hsdb 5280

24. Einecs 202-205-2

25. Unii-gwp218zy6f

26. Triphenyl-

27. Ai3-00847

28. [1,1';4',1'']terphenyl

29. Ppp (scintillator)

30. Mfcd00003061

31. Tannin Pyrogallol

32. Terphenyl, P-

33. P-phenylene Trimer

34. Dsstox_cid_7888

35. Wln: Rr Dr

36. Dsstox_rid_78673

37. Dsstox_gsid_29121

38. 1,1':4',1"-terphenyl

39. Dtxsid6029121

40. P-terphenyl, Analytical Standard

41. Nsc6810

42. Zinc1867001

43. Tox21_202759

44. Bdbm50260180

45. P-terphenyl, >=99.5% (hplc)

46. Stl069547

47. P-terphenyl (purified By Sublimation)

48. Akos005111366

49. 1,1'':4'',1''''-terphenyl

50. Cs-w014689

51. Cas-92-94-4

52. Ncgc00164113-01

53. Ncgc00260306-01

54. Ac-18695

55. As-12803

56. Db-038209

57. Ft-0659947

58. T0020

59. T3263

60. D92686

61. T-3203

62. 003t061

63. A844395

64. Ab-131/40897106

65. W-100265

66. Q20965188

67. F0486-1779

68. Z1262246140

69. P-terphenyl, Suitable For Scintillation, >=98.5% (hplc)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄
Molecular Weight	230.3 g/mol
XLogP3	5.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	230.109550447 g/mol
Monoisotopic Mass	230.109550447 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	198
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 Pharmacology and Biochemistry

4.1 Absorption, Distribution and Excretion

...POORLY ABSORBED & LARGELY EXCRETED UNCHANGED IN FECES.

Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-105

4.2 Metabolism/Metabolites

Depending on the extent to which these compounds are absorbed, the various terphenyls were metabolized to glucuronic acid conjugates and phenol and excreted in the urine of treated rabbits. Following a single 1 gram oral dose of o-, m-, or p-terphenyl, 60% of the o-, 38% of the m-, and a trace of p-terphenyl were detected as their respective glucuronides in the urine. Zero, 15%, and 30% of the o-, m-, and p-terphenyls, respectively, were isolated unchanged in feces.

American Conference of Governmental Industrial Hygienists, Inc. Documentation of the Threshold Limit Values and Biological Exposure Indices. 6th ed. Volumes I, II, III. Cincinnati, OH: ACGIH, 1991., p. 1500