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CAS 532-27-4

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Also known as: 532-27-4, Phenacyl chloride, 2-chloro-1-phenylethanone, Chloroacetophenone, Omega-chloroacetophenone, Tear gas

Molecular Formula

C₈H₇ClO

Molecular Weight

154.59 g/mol

InChI Key

IMACFCSSMIZSPP-UHFFFAOYSA-N

FDA UNII

88B5039IQG

A potent eye, throat, and skin irritant. One of its uses is as a riot control agent.

1 2D Structure

CAS 532-27-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-1-phenylethanone

2.1.2 InChI

InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2

2.1.3 InChI Key

IMACFCSSMIZSPP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(=O)CCl

2.2 Other Identifiers

2.2.1 UNII

88B5039IQG

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2 Chloro 1 Phenylethanone

2. 2 Chloroacetophenone

3. 2-chloro-1-phenylethanone

4. 3' Chloroacetophenone

5. 3'-chloroacetophenone

6. Alpha Chloroacetophenone

7. Alpha-chloroacetophenone

8. Chloracetophenone

9. Chloroacetophenone

10. Mace

11. Omega Chloroacetophenone

12. Omega-chloroacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 532-27-4

2. Phenacyl Chloride

3. 2-chloro-1-phenylethanone

4. Chloroacetophenone

5. Omega-chloroacetophenone

6. Tear Gas

7. Mace (lacrimator)

8. Alpha-chloroacetophenone

9. Acetophenone, 2-chloro-

10. Chloromethyl Phenyl Ketone

11. Ethanone, 2-chloro-1-phenyl-

12. Phenacylchloride

13. Chemical Mace

14. Mace

15. 1-chloroacetophenone

16. Cn (lacrimator)

17. Chloracetophenone

18. 2-chloro-1-phenylethan-1-one

19. Phenyl Chloromethyl Ketone

20. Nci-c55107

21. Oil Of Nutmeg

22. .alpha.-chloroacetophenone

23. 2-chloroacetophenone (cn)

24. 2-chloro-1-phenyl-ethanone

25. Nsc 41666

26. Fats, Nutmeg Butter

27. Benzeneacetaldehyde, A-chloro-

28. Mace Oil

29. .alpha.-phenacyl Chloride

30. .omega.-chloroacetophenone

31. 4638-79-3

32. Chembl105712

33. 8007-12-3

34. 88b5039iqg

35. Nsc-41666

36. Dsstox_cid_293

37. Dsstox_rid_75493

38. Dsstox_gsid_20293

39. A-chloroacetophenone

40. Phenylchloromethylketone

41. Caswell No. 179c

42. Cas-532-27-4

43. Ccris 2370

44. Hsdb 972

45. Chloroacetophenone, 2-

46. Einecs 208-531-1

47. Mfcd00000933

48. Un1697

49. Epa Pesticide Chemical Code 018001

50. Brn 0507950

51. Nutmeg Butter

52. Unii-88b5039iqg

53. Ai3-52322

54. Nutmeg Fat

55. Nutmeg Oleoresin

56. Macis Oil

57. Oil Of Mace

58. Oils, Mace

59. Nutmeg Butter Fat

60. Nutmeg Oil, Fixed

61. 2-chloroacetophenon

62. Chloroacetyl Benzene

63. Benzoylmethyl Chloride

64. 2-chloro Acetophenone

65. 2-chloro-acetophenone

66. Nutmeg Oil, Expressed

67. I+/--chloroacetophenone

68. Oils, Myristica Fragrans

69. Oil Of Nutmeg, Expressed

70. Unii-9kkx6i0u7z

71. Wln: G1vr

72. 2-chloroacetophenone, 98%

73. 9kkx6i0u7z

74. Schembl55444

75. 4-07-00-00641 (beilstein Handbook Reference)

76. Chloroacetophenone (cn), Solid [un1697] [poison]

77. (2-chloro-1-oxoethyl)benzene

78. Fema No. 2652

79. Fema No. 2653

80. Fema No. 2654

81. 1-phenyl-2-chloro-1-ethanone

82. Bdbm7873

83. Chloroacetophenone (cn), Solid

84. Gtpl6285

85. Phenyl Chloromethylketone

86. Chloroacetophenone (cn), Liquid

87. Dtxsid9020293

88. Hsdb 1950

89. Amy8878

90. Mace (myristica Fragrans Houtt.)

91. Chloroacetophenone [mart.]

92. Nci-c56484

93. Nsc41666

94. Str01480

95. Zinc1673519

96. Halomethyl Phenyl Ketone Deriv. 21

97. Tox21_202075

98. Tox21_300045

99. 2-chloroacetophenone(phenacylchloride)

100. Mace Oil (myristica Fragrans Houtt.)

101. Akos000200777

102. Omega-chloroacetophenone [hsdb]

103. Un 1697

104. .omega.-chloroacetophenone [mi]

105. Ncgc00091207-01

106. Ncgc00091207-02

107. Ncgc00091207-03

108. Ncgc00091207-04

109. Ncgc00091207-05

110. Ncgc00254035-01

111. Ncgc00259624-01

112. Db-013352

113. En300-18309

114. 2-chloroacetophenone, Purum, >=98.0% (gc)

115. Mace Oleoresin/extract (myristica Fragrans Houtt.)

116. Q284209

117. Q-200259

118. Chloroacetophenone (cn), Liquid [un1697] [poison]

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇ClO
Molecular Weight	154.59 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	154.0185425 g/mol
Monoisotopic Mass	154.0185425 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Irritants

Drugs that act locally on cutaneous or mucosal surfaces to produce inflammation; those that cause redness due to hyperemia are rubefacients; those that raise blisters are vesicants and those that penetrate sebaceous glands and cause abscesses are pustulants; tear gases and mustard gases are also irritants. (See all compounds classified as Irritants.)

Tear Gases

Gases that irritate the eyes, throat, or skin. Severe lacrimation develops upon irritation of the eyes. (See all compounds classified as Tear Gases.)

4.2 Mechanism of Action

2-Chloroacetophenone toxicity may be due to the alkylation and consequent inhibition of sulfhydryl-containing enzymes because inhibition of lactate dehydrogenase activity by 2-chloroacetophenone in vitro was not reversed by glutathione and because intravenous administration of sodium thiosulfate did not protect rats from lethal doses of 2-chloroacetophenone given by intraperitoneal injection.

DHHS/NTP; Toxicology and Carcinogenesis Studies of 2-chloroacetophenone in F344/N Rats and B6C3F1 Mice (Inhalation Studies) p.14 Technical Report Series No.379 (1990) NIH Pub No.90 2834

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