CAS-3874-54-2

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15 End Use APIs
15 Related Intermediates

Chemistry

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Also known as: 3874-54-2, 4-chloro-1-(4-fluorophenyl)butan-1-one, 3-(4-fluorobenzoyl)propyl chloride, 3-chloropropyl 4-fluorophenyl ketone, 4'-fluoro-4-chlorobutyrophenone, 4-fluorobenzoylpropyl chloride

Molecular Formula

C₁₀H₁₀ClFO

Molecular Weight

200.64 g/mol

InChI Key

HXAOUYGZEOZTJO-UHFFFAOYSA-N

FDA UNII

FVL03C7JRR

1 2D Structure

CAS 3874-54-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-1-(4-fluorophenyl)butan-1-one

2.1.2 InChI

InChI=1S/C10H10ClFO/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2

2.1.3 InChI Key

HXAOUYGZEOZTJO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)CCCCl)F

2.2 Other Identifiers

2.2.1 UNII

FVL03C7JRR

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3874-54-2

2. 4-chloro-1-(4-fluorophenyl)butan-1-one

3. 3-(4-fluorobenzoyl)propyl Chloride

4. 3-chloropropyl 4-fluorophenyl Ketone

5. 4'-fluoro-4-chlorobutyrophenone

6. 4-fluorobenzoylpropyl Chloride

7. 4-chloro-p-fluorobutyrophenone

8. 4-chloro-4-fluorobutyrophenone

9. 1-butanone, 4-chloro-1-(4-fluorophenyl)-

10. P-fluorobenzoylpropyl Chloride

11. Butyrophenone, 4-chloro-4'-fluoro-

12. P-fluoro-4-chlorobutyrophenone

13. 3-chloro-4'-fluorobutyrophenone

14. Gamma-chloro-p-fluorobutyrophenone

15. 3-(p-fluorobenzoyl)propyl Chloride

16. Mfcd00001007

17. 3-chloropropyl 4'-fluorophenyl Ketone

18. 4-(p-fluorophenyl)-4-oxobutyl Chloride

19. 4-(4-fluorophenyl)-4-oxobutyl Chloride

20. .gamma.-chloro-p-fluorobutyrophenone

21. Nsc 87082

22. Fvl03c7jrr

23. 4-chloro-1-(4-fluorophenyl)-1-butanone

24. 4-chloro-1-(4-fluorophenyl)-1-oxobutane

25. Dtxsid3057729

26. .gamma.-chloro-4-fluorobutyrophenone

27. .omega.-chloro-p-fluorobutyrophenone

28. P-fluoro-.gamma.-chlorobutyrophenone

29. P-fluoro-.omega.-chlorobutyrophenone

30. Nsc-87082

31. Unii-fvl03c7jrr

32. Gamma-chloro-p-fluorobutyrophene

33. P-fluoro-gamma-chlorobutyrophenone

34. Gamma-chloro-4-fluorobutyrophenone

35. Einecs 223-395-3

36. Dsstox_cid_31518

37. Dsstox_rid_97403

38. Nciopen2_005403

39. Dsstox_gsid_57729

40. Schembl318467

41. 4-chlor-4'-fluor-butyrophenon

42. 4-chloro-4'-flurobutyrophenone

43. 4-chloro-4'-flourobutyrophenone

44. Chembl3561872

45. Hxaouygzeoztjo-uhfffaoysa-

46. 4-chloro-4' -fluorobutyrophenone

47. 4-chloro-4'-fluoro-butyrophenone

48. .gamma.-chloro-p-fluorobutyrophene

49. Omega-chloro-4-fluorobutyrophenone

50. P-fluoro-gamma-chloro Butyrophenone

51. Amy25665

52. Nsc87082

53. Zinc1561635

54. Tox21_113749

55. .omega.-chloro-4-fluorobutyrophenone

56. Bbl009718

57. Stl141083

58. 1-chloro-3-(4-fluorobenzoyl)propane

59. Akos000120240

60. Gamma-(p-fluorobenzoyl)propyl Chloride

61. 1-chloro-3-(4-fluorobenzoyl)-propane

62. Cs-w009108

63. 4-chloro-4'-fluorobutyrophenone, 97%

64. 4-oxo-4-(4-fluorophenyl)butyl Chloride

65. Ncgc00253619-01

66. 4-chloro-4'-fluorobutyrophenone;4-chloro-1-(4-fluorophenyl)butan-1-one;1-butanone, 4-chloro-1-(4-fluorophenyl)-;butyrophenone, 4-chloro-4'-fluoro-;4-chloro-4'-fluorobutyrophenone 4-chloro-1-(4-fluorophenyl)butan-1-one 1-butanone, 4-chloro-1-(4-fluorophenyl)- Butyrophenone, 4-chloro-4'-fluoro-

67. Ac-10958

68. Sy016889

69. 1-utanone, 4-hloro-1-(4-luorophenyl)-

70. Cas-3874-54-2

71. 1-chloro-3-(p-fluorophenylcarbonyl)propane

72. Db-049325

73. 4-chloro-1-(4-fluoro-phenyl)-butan-1-one

74. 4-chloro-1-(4-fluorophenyl)-1-butanone #

75. Ft-0618100

76. D78020

77. 1-chloro-4-(4-fluorophenyl)-4-oxobutane

78. A824266

79. Sr-01000944706

80. 3-(4-fluorophenylcarbonyl)-1-chloropropane

81. Q-200454

82. Sr-01000944706-1

83. Q27278227

84. 4-chloro-4 Inverted Exclamation Mark -fluorobutyrophenone

85. 4-chloro-1-(4-fluorophenyl)butan-1-one;4-chloro-4'-fluorobutyrophenone

86. 54839-20-2

87. N-[n,o-isopropylidene-(2r)-hydroxyindan-(1s)-yl]-(2r)-benzyl-(4s,5)-epoxypentanamide

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀ClFO
Molecular Weight	200.64 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	200.0404208 g/mol
Monoisotopic Mass	200.0404208 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	164
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