Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: Chloroacetaldehyde dimethyl acetal, 97-97-2, Dimethylchloroacetal, Dimethyl chloroacetal, Ethane, 2-chloro-1,1-dimethoxy-, Dimethyl chloracetal
Molecular Formula
C4H9ClO2
Molecular Weight
124.56  g/mol
InChI Key
CRZJPEIBPQWDGJ-UHFFFAOYSA-N
FDA UNII
1KPA4H9T18

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-1,1-dimethoxyethane
2.1.2 InChI
InChI=1S/C4H9ClO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
2.1.3 InChI Key
CRZJPEIBPQWDGJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(CCl)OC
2.2 Other Identifiers
2.2.1 UNII
1KPA4H9T18
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Chloroacetaldehyde Dimethyl Acetal

2. 97-97-2

3. Dimethylchloroacetal

4. Dimethyl Chloroacetal

5. Ethane, 2-chloro-1,1-dimethoxy-

6. Dimethyl Chloracetal

7. 2-chloro-1,1-dimethoxy-ethane

8. Chloroacetaldehyde Dimethylacetal

9. Chloroacetaldehyde, Dimethyl Acetal

10. 2-chloroacetaldehyde, Dimethyl Acetal

11. Methyl Chloroacetal

12. Acetaldehyde, Chloro-, Dimethyl Acetal

13. 1-chloro-2,2-dimethoxyethane

14. 1kpa4h9t18

15. 2-chloroacetaldehyde Dimethyl Acetal

16. Nsc-60388

17. Mfcd00000948

18. Unii-1kpa4h9t18

19. Chloroacetaldehydedimethylacetal

20. Einecs 202-624-0

21. Chlorodimethyl Acetal

22. Nsc 60388

23. Ec 202-624-0

24. Ghl.pd_mitscher_leg0.695

25. Schembl252600

26. 1,1-dimethoxy-2-chloroethane

27. Chloracetaldehyde Dimethylacetal

28. Chloroacetaldehyde-dimethylacetal

29. Dtxsid1059157

30. Crzjpeibpqwdgj-uhfffaoysa-

31. Amy3314

32. 2-chloranyl-1,1-dimethoxy-ethane

33. Chloro Acetaldehyde Dimethyl Acetal

34. 2,2-dimethoxyethyl Chloride

35. Bcp21838

36. Nsc60388

37. Zinc1690179

38. Bbl011494

39. Stl146606

40. Akos000121592

41. Chloroacetaldehyde Dimethyl Acetal, 98%

42. Da-19351

43. 2-chloro-1,1-dimethoxyethane;dimethylchloroacetal

44. A845778

45. W-100099

46. Q27252548

47. F0001-2309

48. Chloroacetaldehyde Dimethyl Acetal, Produced By Wacker Chemie Ag, Burghausen, Germany, >=99.0% (gc)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 124.56 g/mol
Molecular Formula C4H9ClO2
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass124.0291072 g/mol
Monoisotopic Mass124.0291072 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity36.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1