Methyl Chloroacetate

Synopsis, Chemistry

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Also known as: 96-34-4, Methyl 2-chloroacetate, Chloroacetic acid methyl ester, Methyl monochloroacetate, Acetic acid, chloro-, methyl ester, Methyl chloroethanoate

Molecular Formula

C₃H₅ClO₂

Molecular Weight

108.52 g/mol

InChI Key

QABLOFMHHSOFRJ-UHFFFAOYSA-N

FDA UNII

450VSB182I

1 2D Structure

Methyl Chloroacetate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl 2-chloroacetate

2.1.2 InChI

InChI=1S/C3H5ClO2/c1-6-3(5)2-4/h2H2,1H3

2.1.3 InChI Key

QABLOFMHHSOFRJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC(=O)CCl

2.2 Other Identifiers

2.2.1 UNII

450VSB182I

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 96-34-4

2. Methyl 2-chloroacetate

3. Chloroacetic Acid Methyl Ester

4. Methyl Monochloroacetate

5. Acetic Acid, Chloro-, Methyl Ester

6. Methyl Chloroethanoate

7. Methyl Monochloracetate

8. Methyl Alpha-chloroacetate

9. Monochloroacetic Acid Methyl Ester

10. Nsc 2635

11. Un2295

12. Methylester Kyseliny Chloroctove

13. Clh2ccooch3

14. Acetic Acid, 2-chloro-, Methyl Ester

15. Chloro-acetic Acid Methyl Ester

16. 450vsb182i

17. Monochloroacetic Acid, Methyl Ester

18. Nsc-2635

19. Mfcd00000931

20. Ccris 7749

21. Hsdb 5303

22. Einecs 202-501-1

23. Methylester Kyseliny Chloroctove [czech]

24. Unii-450vsb182i

25. Ai3-39185

26. 2-chloroacetic Acid Methyl Ester

27. Methyl Chloracetate

28. Methyl Chloroactate

29. Methyl Chioroacetate

30. Methyl Chloro-acetate

31. Methyl Monochloroacete

32. Methyl-2-chloroacetate

33. Chloroacetic Acid Methyl

34. Methyl 2-chloro-acetate

35. Chloroacetic Methyl Ester

36. Ec 202-501-1

37. Methyl Chloroacetate, 99%

38. Chloroacetic Acid Methylester

39. Chloroacetic Acid-methyl Ester

40. Schembl140582

41. Chloroacetic Acid, Methyl Ester

42. Dtxsid9041576

43. Methyl Chloroacetate [mi]

44. Methyl Ester Of Chloroacetic Acid

45. Nsc2635

46. 2-chloro-acetic Acid Methyl Ester

47. Bcp30634

48. Zinc1641046

49. Methyl .alpha.-chloroacetate

50. Stl197883

51. Akos000119621

52. Un 2295

53. Un-2295

54. Db-080424

55. Methyl Chloroacetate [un2295] [poison]

56. Ft-0623623

57. Q188382

58. F8889-8024

59. Methyl Chloroacetate, Pestanal(r), Analytical Standard

60. Chloroacetic Acid Methyl Ester 1000 Microg/ml In Methyl-tert-butyl Ether

61. Methyl Chloroacetate, Certified Reference Material, 1000 Mug/ml In Methyl Tert-butyl Ether

62. 2-chloroacetic Acid Methyl Ester;methyl Monochloroacetate; Methyl (c) Paragraph Sign-chloroacetate; Methyl 2-chloroacetate;chloroacetic Acid Methyl Ester

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₅ClO₂
Molecular Weight	108.52 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	107.9978071 g/mol
Monoisotopic Mass	107.9978071 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	52.8
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