Acetoxyacetyl Chloride

Synopsis, Chemistry

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Also known as: 13831-31-7, 2-chloro-2-oxoethyl acetate, 2-acetoxyacetyl chloride, Acetoxyacetylchloride, Acetyl chloride, (acetyloxy)-, (2-chloro-2-oxoethyl) acetate

Molecular Formula

C₄H₅ClO₃

Molecular Weight

136.53 g/mol

InChI Key

HZDNNJABYXNPPV-UHFFFAOYSA-N

FDA UNII

Z4S19Y2F8S

1 2D Structure

Acetoxyacetyl Chloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2-chloro-2-oxoethyl) acetate

2.1.2 InChI

InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3

2.1.3 InChI Key

HZDNNJABYXNPPV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCC(=O)Cl

2.2 Other Identifiers

2.2.1 UNII

Z4S19Y2F8S

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 13831-31-7

2. 2-chloro-2-oxoethyl Acetate

3. 2-acetoxyacetyl Chloride

4. Acetoxyacetylchloride

5. Acetyl Chloride, (acetyloxy)-

6. (2-chloro-2-oxoethyl) Acetate

7. Acetoxyacetic Acid Chloride

8. Z4s19y2f8s

9. Acetyl Chloride, 2-(acetyloxy)-

10. Unii-z4s19y2f8s

11. (chlorocarbonyl)methyl Acetate

12. Einecs 237-542-4

13. Acetoxy Acetylchloride

14. Acetoxy Acetyl Chloride

15. Acetyloxyacetyl Chloride

16. (acetyloxy)acetyl Chloride

17. Chloro-2-oxoethyl Acetate

18. Schembl5288

19. Alpha-acetoxy Acetyl Chloride

20. Acetoxyacetyl Chloride, 97%

21. (2-chloro-2-oxo-ethyl)acetate

22. Dtxsid20160579

23. Glycoloyl Chloride, Acetate

24. Albb-013561

25. Amy39424

26. Bcp32585

27. Str08793

28. Zinc2019437

29. Mfcd00011535

30. Acetic Acid Chlorocarbonylmethyl Ester

31. Acetic Acid Chlorocarbonyl-methyl Ester

32. Akos000121009

33. Acetic Acid (2-chloro-2-oxoethyl) Ester

34. Db-042424

35. Bb 0261504

36. Cs-0017872

37. Ft-0621815

38. (2-chloranyl-2-oxidanylidene-ethyl) Ethanoate

39. S12356

40. A807373

41. J-007117

42. J-519534

43. Q27294994

44. F0001-0475

45. 2-chloro-2-oxoethyl Acetate;2-acetoxyacetyl Chloride;acetoxyacetylchloride

2.4 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₄H₅ClO₃
Molecular Weight	136.53 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	135.9927217 g/mol
Monoisotopic Mass	135.9927217 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	110
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