CAS 100-07-2

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Also known as: 100-07-2, P-anisoyl chloride, Benzoyl chloride, 4-methoxy-, Anisoyl chloride, 4-methoxybenzoylchloride, P-methoxybenzoyl chloride

Molecular Formula

C₈H₇ClO₂

Molecular Weight

170.59 g/mol

InChI Key

MXMOTZIXVICDSD-UHFFFAOYSA-N

FDA UNII

TV6DMQ9451

1 2D Structure

CAS 100-07-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-methoxybenzoyl chloride

2.1.2 InChI

InChI=1S/C8H7ClO2/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3

2.1.3 InChI Key

MXMOTZIXVICDSD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC=C(C=C1)C(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

TV6DMQ9451

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 100-07-2

2. P-anisoyl Chloride

3. Benzoyl Chloride, 4-methoxy-

4. Anisoyl Chloride

5. 4-methoxybenzoylchloride

6. P-methoxybenzoyl Chloride

7. 4-anisoyl Chloride

8. 4-methoxybenzoic Acid Chloride

9. 4-methoxy-benzoyl Chloride

10. Benzoyl Chloride, P-methoxy-

11. P-methoxybenzoic Acid Chloride

12. Para-anisoyl Chloride

13. Nsc 86125

14. Un1729

15. Para-methoxybenzoyl Chloride

16. Tv6dmq9451

17. Mfcd00000687

18. Nsc-86125

19. Unii-tv6dmq9451

20. Hsdb 447

21. P-anisoylchloride

22. Anisic Acid Chloride

23. Benzoic Acid, 4-methoxy-, Chloride

24. Einecs 202-816-4

25. Rho-anisoyl Chloride

26. P-anisic Acid Chloride

27. P-methoxybenzoylchloride

28. 4methoxybenzoyl Chloride

29. 4-methoxy Benzoylchloride

30. 4-methoxybenzoic Chloride

31. 4-methoxylbenzoyl Chloride

32. P-methoxy Benzoyl Chloride

33. 4 -methoxybenzoyl Chloride

34. 4-methoxy Benzoyl Chloride

35. Wln: Gvr Bo1

36. 4-(methoxy)benzoyl Chloride

37. Schembl22288

38. Dtxsid9059204

39. P-anisoyl Chloride [mi]

40. 4-methoxybenzoyl Chloride, 99%

41. Mxmotzixvicdsd-uhfffaoysa-

42. Methoxybenzoyl Chloride (related)

43. Bcp29202

44. Nsc86125

45. Zinc1760816

46. 4-methoxy-1-benzenecarbonyl Chloride

47. Stl141094

48. Benzoyl Chloride, Methoxy- (related)

49. Akos000268745

50. Am90169

51. Un 1729

52. Un-1729

53. As-39889

54. Anisoyl Chloride [un1729] [corrosive]

55. Ft-0618921

56. Ft-0652740

57. M0721

58. P-anisoyl Chloride; P-methoxybenzoyl Chloride

59. 4-methoxybenzoyl Chloride (p-anisoyl Chloride)

60. Q4117661

61. W-108977

62. P-anisoyl Chloride;p-methoxybenzoyl Chloride;4-anisoyl Chloride;benzoyl Chloride,4-methoxy;benzoyl Chloride, P-methoxy-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇ClO₂
Molecular Weight	170.59 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.0134572 g/mol
Monoisotopic Mass	170.0134572 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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