CAS 90-98-2

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Also known as: 90-98-2, Bis(4-chlorophenyl)methanone, Methanone, bis(4-chlorophenyl)-, Dcbp, Bis(4-chlorophenyl) ketone, Di(p-chlorophenyl)ketone

Molecular Formula

C₁₃H₈Cl₂O

Molecular Weight

251.10 g/mol

InChI Key

OKISUZLXOYGIFP-UHFFFAOYSA-N

FDA UNII

3MTL0YC2Q5

1 2D Structure

CAS 90-98-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bis(4-chlorophenyl)methanone

2.1.2 InChI

InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

2.1.3 InChI Key

OKISUZLXOYGIFP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

3MTL0YC2Q5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 90-98-2

2. Bis(4-chlorophenyl)methanone

3. Methanone, Bis(4-chlorophenyl)-

4. Dcbp

5. Bis(4-chlorophenyl) Ketone

6. Di(p-chlorophenyl)ketone

7. P-dichlorobenzophenone

8. Di(4-chlorophenyl)ketone

9. Bis(p-chlorophenyl)ketone

10. Benzophenone, 4,4'-dichloro-

11. 4,4-dichlorobenzophenone

12. P,p'-dichlorobenzophenone

13. Usaf Do-4

14. Bis(4-chlorophenyl)ketone

15. Dbp (degradation Product)

16. Nsc 8787

17. Mfcd00000623

18. 3mtl0yc2q5

19. 4,4'-dichlorobenzophenone (dbp)

20. 4,4'-dbp

21. Nsc-8787

22. 4,4 Inverted Exclamation Mark -dichlorobenzophenone

23. Dbp (van)

24. Einecs 202-030-1

25. Unii-3mtl0yc2q5

26. 4,4'-dichloro-benzophenone

27. Brn 0643345

28. Ai3-03064

29. P,p-dichlorobenzophenone

30. Wln: Gr Dvr Dg

31. 4,4;-dichlorobenzophenone

32. Bmse000517

33. 4,4\'-dichlorobenzophenone

34. Dsstox_cid_17626

35. Dsstox_rid_79350

36. Dsstox_gsid_37626

37. Schembl51827

38. 4-07-00-01376 (beilstein Handbook Reference)

39. Bis(4-chlorophenyl)-methanone

40. Bis(4-chlorophenyl)methanone #

41. Chembl1870191

42. Dtxsid3037626

43. Bis-(4-chloro-phenyl)-methanone

44. Benzophenone Dichloride (related)

45. Nsc8787

46. 4,4'-dichlorobenzophenone, 99%

47. Zinc388094

48. Tox21_302130

49. Stk290986

50. Akos000282714

51. Cs-w012634

52. Cas-90-98-2

53. Ncgc00163933-01

54. Ncgc00255637-01

55. Ac-10278

56. As-11851

57. Sy009660

58. Db-057234

59. D1621

60. Ft-0617037

61. En300-31834

62. 4,4'-dbp, Pestanal(r), Analytical Standard

63. C06643

64. Ae-641/00433006

65. 4,4'-dichlorobenzophenone, Purum, >=99.0% (gc)

66. Q4637048

67. W-100319

68. 4,4'-dichlorobenzophenone 100 Microg/ml In Methanol

69. 4,4'-dichlorobenzophenone 10 Microg/ml In Cyclohexane

70. Z336481680

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈Cl₂O
Molecular Weight	251.10 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	249.9952203 g/mol
Monoisotopic Mass	249.9952203 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
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

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