CAS 97-97-2

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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

CAS 97-97-2

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 Formula	C₄H₉ClO₂
Molecular Weight	124.56 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	124.0291072 g/mol
Monoisotopic Mass	124.0291072 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	36.7
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