CAS-3282-30-2

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Also known as: 3282-30-2, Trimethylacetyl chloride, 2,2-dimethylpropanoyl chloride, Propanoyl chloride, 2,2-dimethyl-, Pivalyl chloride, 2,2-dimethylpropionyl chloride

Molecular Formula

C₅H₉ClO

Molecular Weight

120.58 g/mol

InChI Key

JVSFQJZRHXAUGT-UHFFFAOYSA-N

FDA UNII

JQ82J0O21T

1 2D Structure

CAS 3282-30-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,2-dimethylpropanoyl chloride

2.1.2 InChI

InChI=1S/C5H9ClO/c1-5(2,3)4(6)7/h1-3H3

2.1.3 InChI Key

JVSFQJZRHXAUGT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

JQ82J0O21T

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3282-30-2

2. Trimethylacetyl Chloride

3. 2,2-dimethylpropanoyl Chloride

4. Propanoyl Chloride, 2,2-dimethyl-

5. Pivalyl Chloride

6. 2,2-dimethylpropionyl Chloride

7. Pivalic Acid Chloride

8. Pivalolyl Chloride

9. Pivalic Chloride

10. Neopentanoyl Chloride

11. 2,2-dimethyl-propionyl Chloride

12. Jq82j0o21t

13. 2,2,2-trimethylacetyl Chloride

14. 2,2-dimethylpropionic Acid Chloride

15. Pivaloylchloride

16. Pivaloyl Chlorid

17. Pivaloylchlorid

18. Unii-jq82j0o21t

19. Pvaloyl Chlorde

20. Pivcl

21. Pivaloyl-chloride

22. 2,2-dimethyl-propanoyl Chloride

23. Tbucocl

24. Piv-cl

25. T-bucocl

26. Einecs 221-921-6

27. Un2438

28. Pvcl

29. Trimethylacetylchloride

30. Trimethylacetyl Choride

31. Trimehtylacetyl Chloride

32. Trimethyl Acetylchloride

33. Trimethylacetyl-chloride

34. T-butylcarbonyl Chloride

35. Trimethylacetoyl Chloride

36. Trimethyl Acetyl Chloride

37. (ch3)3ccocl

38. Dsstox_cid_7529

39. Tert-butylcarbonyl Chloride

40. Ec 221-921-6

41. Acetyl Chloride, Trimethyl-

42. Schembl1404

43. Trimethylacetic Acid Chloride

44. Dsstox_rid_78491

45. Dsstox_gsid_27529

46. 2,2-dimethylpropanoylchloride

47. 2,2-dimethylpropionylchloride

48. 2,2,2-trimethylacetylchloride

49. 2,2-dimethyl-propionylchloride

50. Trimethylacetyl Chloride, 99%

51. Tert-butyl Chloro Ketone

52. 2,2-dimethyl Propanoyl Chloride

53. Chembl3183814

54. Dtxsid4027529

55. 2,2-dimethylpropionicacid Cloride

56. Str00119

57. Zinc1534960

58. Tox21_200646

59. Bbl011382

60. Mfcd00000709

61. Stl146483

62. 2,2-dimethyl-propionic Acid Chloride

63. Akos000121190

64. Un 2438

65. Ncgc00248779-01

66. Ncgc00258200-01

67. 1,1-dimethylethanecarbonyl Chloride

68. Cas-3282-30-2

69. Ft-0652320

70. P0677

71. Pivaloyl Chloride, Purum, >=98.0% (gc)

72. Trimethylacetyl Chloride [un2438] [poison]

73. A821441

74. J-523982

75. Q2017164

76. F2190-0014

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₅H₉ClO
Molecular Weight	120.58 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	120.0341926 g/mol
Monoisotopic Mass	120.0341926 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	80.6
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

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