CAS 4635-59-0

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8 End Use APIs
66 Related Intermediates

Chemistry

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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

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 Formula	C₄H₆Cl₂O
Molecular Weight	140.99 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	139.9795702 g/mol
Monoisotopic Mass	139.9795702 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	62.7
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