CAS 90-99-3

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Also known as: 90-99-3, Benzhydryl chloride, (chloromethylene)dibenzene, Diphenylchloromethane, Benzene, 1,1'-(chloromethylene)bis-, Diphenylmethyl chloride

Molecular Formula

C₁₃H₁₁Cl

Molecular Weight

202.68 g/mol

InChI Key

ZDVDCDLBOLSVGM-UHFFFAOYSA-N

FDA UNII

CN9N9AYV4B

1 2D Structure

CAS 90-99-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[chloro(phenyl)methyl]benzene

2.1.2 InChI

InChI=1S/C13H11Cl/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H

2.1.3 InChI Key

ZDVDCDLBOLSVGM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

CN9N9AYV4B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 90-99-3

2. Benzhydryl Chloride

3. (chloromethylene)dibenzene

4. Diphenylchloromethane

5. Benzene, 1,1'-(chloromethylene)bis-

6. Diphenylmethyl Chloride

7. Methane, Chlorodiphenyl-

8. Chloro(diphenyl)methane

9. [chloro(phenyl)methyl]benzene

10. 1,1'-(chloromethylene)bisbenzene

11. Benzhydrylchloride

12. Cn9n9ayv4b

13. Mfcd00000855

14. Nsc-76584

15. Alpha-chloroditan

16. Unii-cn9n9ayv4b

17. Hsdb 2804

18. Benzhydryl-chloride

19. Einecs 202-031-7

20. Diphenylmethylchloride

21. Nsc 76584

22. Diphenymethyl Chloride

23. Diphenylchloromethane;

24. Diphenyl Methylchloride

25. A-chlorodiphenylmethane

26. Chloro-diphenyl-methane

27. Ai3-11230

28. 1,1-diphenylchloromethane

29. Alpha-chlorodiphenylmethane

30. .alpha.-chloroditan

31. Chlorodiphenylmethane, 98%

32. 1,1-diphenylmethyl Chloride

33. Schembl151375

34. 1-chloro-1,1-diphenylmethane

35. 1-chloro-1, 1-diphenylmethane

36. [chloro(phenyl)methyl]benzene #

37. Dtxsid10861684

38. Benzene,1'-(chloromethylene)bis-

39. Act03286

40. Chlorodiphenylmethane [hsdb]

41. Nsc76584

42. Zinc1707955

43. .alpha.-chlorodiphenylmethane

44. 1,1'-(chloromethylene)bis(benzene)

45. Akos000120659

46. Cs-w015490

47. N-(4-fluorophenyl)anthranilicacid

48. As-11942

49. Db-057236

50. Am20041357

51. Ft-0622661

52. D70178

53. Q-200687

54. Q27275553

55. F0001-2208

56. Benzhydryl Chloride, Polymer-bound, 100-200 Mesh, Extent Of Labeling: 1.6-2.2 Mmol/g Loading, 1 % Cross-linked With Divinylbenzene

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₁Cl
Molecular Weight	202.68 g/mol
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	202.0549280 g/mol
Monoisotopic Mass	202.0549280 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	137
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