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1,3-Diphenylbenzene

1,3-Diphenylbenzene

Synopsis, Chemistry

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Also known as: 1,3-diphenylbenzene, 1,1':3',1''-terphenyl, 92-06-8, M-diphenylbenzene, M-triphenyl, Santowax m

Molecular Formula

C₁₈H₁₄

Molecular Weight

230.3 g/mol

InChI Key

YJTKZCDBKVTVBY-UHFFFAOYSA-N

FDA UNII

WOI2PSS0KX

1 2D Structure

1,3-Diphenylbenzene

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3-diphenylbenzene

2.1.2 InChI

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

2.1.3 InChI Key

YJTKZCDBKVTVBY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

WOI2PSS0KX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1,3-diphenylbenzene

2. 1,1':3',1''-terphenyl

3. 92-06-8

4. M-diphenylbenzene

5. M-triphenyl

6. Santowax M

7. 1,3-terphenyl

8. Isodiphenylbenzene

9. Meta-terphenyl

10. 1,1'-biphenyl, 3-phenyl-

11. Nsc 6808

12. Benzene, M-diphenyl-

13. Woi2pss0kx

14. 26140-60-3

15. Nsc-6808

16. Dsstox_cid_9117

17. Santowax Om

18. Dsstox_rid_78671

19. Dsstox_gsid_29117

20. Diphenylbenzene

21. Terbenzene

22. Santowax R

23. 3-phenylbiphenyl

24. Delowax S

25. Delowax Om

26. Cas-92-06-8

27. Gilotherm Om 2

28. Ccris 1656

29. Hsdb 2537

30. Unii-woi2pss0kx

31. Einecs 202-122-1

32. Ai3-00860

33. Einecs 247-477-3

34. M-terphenyl, 99%

35. 1,3-diphenyl-benzene

36. 1, 3-phenyl-

37. Ai3-01405

38. Terphenyl, M-

39. Unii-lfx1c55d2z

40. 3-phenyl-1,1'-biphenyl

41. Lfx1c55d2z

42. 1,1':3',1''-biphenyl

43. Chembl3184163

44. Dtxsid2029117

45. M-terphenyl, Analytical Standard

46. Nsc6808

47. Zinc1866998

48. Tox21_201579

49. Tox21_303528

50. Mfcd00003059

51. Akos002386404

52. Cs-w010375

53. Ncgc00249075-01

54. Ncgc00257320-01

55. Ncgc00259128-01

56. As-19308

57. Db-079227

58. Ft-0629010

59. G 340

60. T0018

61. Ec 247-477-3

62. T 3009

63. J-503715

64. Q20965190

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	208
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 Minimum/Potential Fatal Human Dose

2 TO 3. 2= SLIGHTLY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 5-15 G/KG, BETWEEN 1 PINT & 1 QT FOR 70 KG PERSON (150 LB). 3= MODERATELY TOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) 0.5-5 G/KG, BETWEEN 1 OZ & 1 PINT (OR 1 LB) FOR 70 KG PERSON (150 LB). /TERPHENYL/

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

5 Pharmacology and Biochemistry

5.1 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