CAS 824-94-2

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Also known as: 824-94-2, 4-methoxybenzylchloride, 1-(chloromethyl)-4-methoxybenzene, P-methoxybenzyl chloride, P-anisyl chloride, P-(chloromethyl)anisole

Molecular Formula

C₈H₉ClO

Molecular Weight

156.61 g/mol

InChI Key

MOHYOXXOKFQHDC-UHFFFAOYSA-N

FDA UNII

Q500ZS03TI

1 2D Structure

CAS 824-94-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(chloromethyl)-4-methoxybenzene

2.1.2 InChI

InChI=1S/C8H9ClO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3

2.1.3 InChI Key

MOHYOXXOKFQHDC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)CCl

2.2 Other Identifiers

2.2.1 UNII

Q500ZS03TI

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 824-94-2

2. 4-methoxybenzylchloride

3. 1-(chloromethyl)-4-methoxybenzene

4. P-methoxybenzyl Chloride

5. P-anisyl Chloride

6. P-(chloromethyl)anisole

7. Benzene, 1-(chloromethyl)-4-methoxy-

8. Alpha-chloro-4-methoxytoluene

9. 4-methyloxybenzyl Chloride

10. Anisole, P-(chloromethyl)-

11. 4-(chloromethyl)anisole

12. 1-chloromethyl-4-methoxy-benzene

13. 4-chloromethyl Anisole

14. .alpha.-chloro-4-methoxytoluene

15. 4-(chloromethyl)-1-methoxybenzene

16. 1-(chloromethyl)-4-methoxy-benzene

17. Mfcd00000915

18. Para-methoxybenzyl Chloride

19. 1-chloromethyl-4-methoxybenzene

20. Q500zs03ti

21. 4-(chloromethyl)phenyl Methyl Ether

22. Nsc-172955

23. 1-(chloromethyl)-4-(methyloxy)benzene

24. Ccris 5108

25. Einecs 212-540-6

26. Nsc 172955

27. Unii-q500zs03ti

28. Pmbcl

29. P-methoxybenzylchlorid

30. P-methoxybenzylchoride

31. P-methoxybenzylchloride

32. Pmb-cl

33. 4-methoxybenzylchlorine

34. 4methoxybenzyl Chloride

35. 4-methyoxybenzylchloride

36. 4-methoxy Benzylchloride

37. 4-methoxybenzyl-chloride

38. 4-methoxy-benzylchloride

39. Para-methoxybenzylchloride

40. Paramethoxybenzyl Chloride

41. 4-methoxylbenzyl Chloride

42. 4-methyoxybenzyl Chloride

43. P-methoxy Benzyl Chloride

44. 4-methoxy Benzyl Chloride

45. 4-methoxy-benzyl Chloride

46. A-chloro-4-methoxytoluene

47. Para-methoxy Benzylchloride

48. 4-methoxyl Benzyl Chloride

49. Para Methoxy Benzylchloride

50. 4-(methoxy)benzyl Chloride

51. Para-methoxy Benzyl Chloride

52. Para-methoxyl Benzyl Chloride

53. Schembl13096

54. 4-methoxyphenylmethyl Chloride

55. (4-methoxyphenyl)methyl Chloride

56. Dtxsid20231718

57. L-(chloromethyl)-4-methoxybenzene

58. Zinc161699

59. 4-methoxybenzylchloride, Stabilized

60. Act01153

61. Bcp25855

62. Str01214

63. 1-(chloro Methyl)-4-methoxybenzene

64. Nsc172955

65. Akos000262023

66. .alpha.-chloro-p-methoxytoluene

67. Cs-w017991

68. Am101321

69. Am20041208

70. Ft-0618924

71. M0676

72. 824m942

73. W-104172

74. Q27287004

75. F0001-2114

76. 4-methoxybenzyl Chloride, Contains Potassium Carbonate As Stabilizer, 98%

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉ClO
Molecular Weight	156.61 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	156.0341926 g/mol
Monoisotopic Mass	156.0341926 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	87.3
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