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Also known as: 4635-59-0, 4-chlorobutanoyl chloride, Butanoyl chloride, 4-chloro-, 4-chlorobutyroyl chloride, 4-chlorobutanoic acid chloride, 4-chlorobutyric acid chloride
Molecular Formula
C4H6Cl2O
Molecular Weight
140.99  g/mol
InChI Key
CDIIZULDSLKBKV-UHFFFAOYSA-N
FDA UNII
3663U0VKRI

CAS 4635-59-0
1 2D Structure

CAS 4635-59-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chlorobutanoyl chloride
2.1.2 InChI
InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2
2.1.3 InChI Key
CDIIZULDSLKBKV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CC(=O)Cl)CCl
2.2 Other Identifiers
2.2.1 UNII
3663U0VKRI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 4635-59-0

2. 4-chlorobutanoyl Chloride

3. Butanoyl Chloride, 4-chloro-

4. 4-chlorobutyroyl Chloride

5. 4-chlorobutanoic Acid Chloride

6. 4-chlorobutyric Acid Chloride

7. Butyryl Chloride, 4-chloro-

8. Gamma-chlorobutyryl Chloride

9. 4-chloro-butyryl Chloride

10. Butanoyl Chloride, Chloro-

11. 4-chloro Butyryl Chloride

12. .gamma.-chlorobutyryl Chloride

13. 3663u0vkri

14. 4-chlorobutyrylchloride

15. Gamma-chlorobutyroyl Chloride

16. Hsdb 7299

17. Einecs 225-059-1

18. Unii-3663u0vkri

19. Chlorobutyrylchloride

20. Chlorobutyryl Chloride

21. Chlorobutanoyl Chloride

22. 4-chlorobutyl Chloride

23. 4-chlorobutryl Chloride

24. 4-chlorobutyryl Choride

25. 4-chlorobutanoylchloride

26. 4-chlorobutyric Chloride

27. Ec 225-059-1

28. 4-chlorobutanoyl Chloride #

29. Schembl72850

30. 4-chlorobutyryl Chloride, 99%

31. Dtxsid6052114

32. Gamma-chlorobutyric Acid Chloride

33. Cdiizuldslkbkv-uhfffaoysa-

34. .gamma.-chloro-n-butyryl Chloride

35. Amy25684

36. Zinc2242611

37. Bbl011409

38. Mfcd00000754

39. Stl146515

40. .omega.-chlorobutyryl Chloride

41. Akos000119223

42. .gamma.-chlorobutyroyl Chloride

43. .omega.-chlorobutanoyl Chloride

44. Bp-30169

45. Vs-02941

46. C0824

47. Ft-0618206

48. .gamma.-chlorobutyryl Chloride [hsdb]

49. 4-chlorobutyryl Chloride, Technical Grade, 95%

50. Q27256529

51. F2190-0035

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 140.99 g/mol
Molecular Formula C4H6Cl2O
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass139.9795702 g/mol
Monoisotopic Mass139.9795702 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity62.7
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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