CAS 86-52-2

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Also known as: 86-52-2, 1-chloromethyl naphthalene, Naphthalene, 1-(chloromethyl)-, 1-chloromethylnaphthalene, (chloromethyl)naphthalene, 1-naphthylmethyl chloride

Molecular Formula

C₁₁H₉Cl

Molecular Weight

176.64 g/mol

InChI Key

XMWGTKZEDLCVIG-UHFFFAOYSA-N

FDA UNII

KD3RZ3R8C4

1 2D Structure

CAS 86-52-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(chloromethyl)naphthalene

2.1.2 InChI

InChI=1S/C11H9Cl/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2

2.1.3 InChI Key

XMWGTKZEDLCVIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC=C2CCl

2.2 Other Identifiers

2.2.1 UNII

KD3RZ3R8C4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-chloromethylnaphthalene

2. 1-cl-me-naphthalene

3. 1-cmn

2.3.2 Depositor-Supplied Synonyms

1. 86-52-2

2. 1-chloromethyl Naphthalene

3. Naphthalene, 1-(chloromethyl)-

4. 1-chloromethylnaphthalene

5. (chloromethyl)naphthalene

6. 1-naphthylmethyl Chloride

7. 1-menaphthyl Chloride

8. 35255-58-4

9. Naphthalene, 1-chloromethyl-

10. 1-(chlormethyl)naftalen

11. Nsc 8473

12. 1-(chloromethyl)-naphthalene

13. .alpha.-(chloromethyl)naphthalene

14. 1-chloromethyl-naphthalene

15. 1-(chloromethyl)naphtalene

16. Kd3rz3r8c4

17. .alpha.-naphthylmethyl Chloride

18. Nsc-8473

19. Naphthalene, .alpha.-(chloromethyl)-

20. 1-(chloromethyl)-naphthalen

21. Alpha-naphthylmethyl Chloride

22. Alpha-(chloromethyl)naphthalene

23. Naphthalene, Alpha-chloromethyl-

24. 1-(chlormethyl)naftalen [czech]

25. 1-chloro Methylnaphthalene

26. Einecs 201-678-2

27. Brn 0636885

28. Naphthalene, (chloromethyl)-

29. Einecs 252-469-8

30. Mfcd00004042

31. Chloromethylnaphthalene

32. 1-chloromethylnaphthaline

33. 1-chloromethyinaphthalene

34. Ai3-15963

35. 1-chloromethyl-naphthalen

36. Alphachloromethylnaphthalene

37. Naphth-1-ylmethyl Chloride

38. Unii-kd3rz3r8c4

39. Alpha-chloromethylnaphthalene

40. (1-naphthyl)methyl Chloride

41. 1-naphthalenylmethyl Chloride

42. 1-(chloromethyl) Naphthalene

43. Alpha-chloromethyl-naphthalene

44. 4-05-00-01692 (beilstein Handbook Reference)

45. Schembl248239

46. Wln: L66j B1g

47. (1-naphthalenyl)methyl Chloride

48. Dtxsid5058939

49. Nsc8473

50. 1-(chloromethyl)naphthalene, 90%

51. Zinc1586767

52. Akos000120764

53. Ac-5784

54. Cs-w017388

55. Nsc 405486

56. Ls-13927

57. Ft-0607651

58. 1-bromo-2-(phenoxymethyl)benzene97+%

59. E70399

60. W-104064

61. Q63395890

62. 1-(chloromethyl)naphthalene, Technical, >=97.0% (gc)

63. F2190-0269

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉Cl
Molecular Weight	176.64 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	176.0392780 g/mol
Monoisotopic Mass	176.0392780 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	144
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