CAS 543-27-1

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1 End Use APIs
47 Related Intermediates

Chemistry

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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

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 Formula	C₅H₉ClO₂
Molecular Weight	136.58 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	26.3
Heavy Atom Count	8
Formal Charge	0
Complexity	80.5
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