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Also known as: 543-27-1, 2-methylpropyl chloroformate, 2-methylpropyl carbonochloridate, Isobutyl chlorocarbonate, Chloroformic acid isobutyl ester, Isobutylchloroformate
Molecular Formula
C5H9ClO2
Molecular Weight
136.58  g/mol
InChI Key
YOETUEMZNOLGDB-UHFFFAOYSA-N
FDA UNII
6S785TC0OB

CAS 543-27-1
1 2D Structure

CAS 543-27-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylpropyl carbonochloridate
2.1.2 InChI
InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3
2.1.3 InChI Key
YOETUEMZNOLGDB-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)COC(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
6S785TC0OB
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Chloroformic Acid Isobutyl Ester

2.3.2 Depositor-Supplied Synonyms

1. 543-27-1

2. 2-methylpropyl Chloroformate

3. 2-methylpropyl Carbonochloridate

4. Isobutyl Chlorocarbonate

5. Chloroformic Acid Isobutyl Ester

6. Isobutylchloroformate

7. Carbonochloridic Acid, 2-methylpropyl Ester

8. Isobutyl Carbonochloridate

9. Chlorocarbonic Acid Isobutyl Ester

10. Ibcf

11. Nsc 8429

12. Isobutyl Chloridocarbonate

13. 6s785tc0ob

14. Nsc-8429

15. Formic Acid, Chloro-, Isobutyl Ester

16. Mfcd00000642

17. I-butyl Chloroformate

18. Unii-6s785tc0ob

19. Ibuococl

20. Isobutylchlorformate

21. Isobutylchoroformate

22. Clco2ibu

23. Clcooi-bu

24. I-buococl

25. I-butylchloroformate

26. Isobutlychloroformate

27. Isobutyichioroformate

28. Einecs 208-840-1

29. Isobutyl Chloroformat

30. Isobutyl Choroformate

31. Clco2i-bu

32. Iso-butylchloroformate

33. Isobutyl Chioroformate

34. Isobutyl-chloroformate

35. Isobutylchlorocarbonate

36. Iso-butyl Chloroformate

37. Iso-butyl-chloroformate

38. Isobutyl Chlo-roformate

39. Isobutyl Chloro-formate

40. Isobutyl Chloroform Ate

41. Carbonochloridic Acid 2-methylpropyl Ester

42. 2-methylpropylchloroformate

43. Isobutyloxycarbonyl Chloride

44. Schembl1745

45. Isobutyl Chloroformate, 98%

46. 2-methylpropyl Chlorocarbonate

47. Chloroformic Acid Isobutylester

48. Chloroformic Acid-isobutylester

49. 2-methylpropoxycarbonyl Chloride

50. Chloroformic Acid Isobutyl-ester

51. 2-methylpropyloxycarbonylchloride

52. Dtxsid8052194

53. Chloroformic Acid Iso-butyl Ester

54. Nsc8429

55. Zinc388452

56. Bbl011424

57. Isobutyl Chlorocarbonate [mi]

58. Stl146531

59. Akos000121338

60. Sb40458

61. Bp-31022

62. Vs-02945

63. Db-002758

64. A7899

65. Ft-0627353

66. Isobutyl Chloroformate [na2742] [poison]

67. En300-17639

68. Isobutyl Chloroformate, Purum, >=98.0% (gc)

69. Q27265420

70. F0001-1428

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 136.58 g/mol
Molecular Formula C5H9ClO2
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area26.3
Heavy Atom Count8
Formal Charge0
Complexity80.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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