CAS 80841-78-7

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5 End Use APIs
80 Related Intermediates

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3 Intermediates

3 Intermediates

Chemistry

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Also known as: 80841-78-7, 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 4-cloromethyl-5-methyl-1,3-dioxol-2-one, 4-chloromethyl-5-methyl-1,3-dioxolen-2-one, 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-, 4-choromethyl-5-methyl-2-oxo-1,3-dioxole

Molecular Formula

C₅H₅ClO₃

Molecular Weight

148.54 g/mol

InChI Key

QCLFSYYUWPUWQR-UHFFFAOYSA-N

1 2D Structure

CAS 80841-78-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(chloromethyl)-5-methyl-1,3-dioxol-2-one

2.1.2 InChI

InChI=1S/C5H5ClO3/c1-3-4(2-6)9-5(7)8-3/h2H2,1H3

2.1.3 InChI Key

QCLFSYYUWPUWQR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(OC(=O)O1)CCl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 80841-78-7

2. 4-chloromethyl-5-methyl-1,3-dioxol-2-one

3. 4-cloromethyl-5-methyl-1,3-dioxol-2-one

4. 4-chloromethyl-5-methyl-1,3-dioxolen-2-one

5. 1,3-dioxol-2-one, 4-(chloromethyl)-5-methyl-

6. 4-choromethyl-5-methyl-2-oxo-1,3-dioxole

7. Mfcd07787494

8. Ec 617-178-6

9. Schembl94170

10. 4-(chloromethyl)-5-methyl-2h-1,3-dioxol-2-one

11. Dtxsid50431805

12. Amy40443

13. Bcp26717

14. Zinc21300263

15. Akos006380113

16. Cs-w019685

17. Sb41032

18. Ac-25864

19. As-10967

20. Sy030049

21. 4-chloromethyl-5methyl-1,3-dioxol-2-one

22. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxole

23. C1882

24. Ft-0600795

25. 4-chloromethyl-5-methyl-[1,3]dioxol-2-one

26. 4-chloromethyl-5-methyl-1,3-dioxolene-2-one

27. 4-chloromethyl-5-methyl-2-oxo-1,3-dioxolene

28. 4-chloromethyl-5-methyl-1,3-dioxol-2-one, 97%

29. 841c787

30. (5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl Chloride

31. J-513698

32. (5-methyl -2-oxo-1,3-dioxolen-4-yl)methyl Chloride

33. 4-cloromethyl-5-methyl-1,3-dioxol-2-one (dmdo-cl)

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₅H₅ClO₃
Molecular Weight	148.54 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	147.9927217 g/mol
Monoisotopic Mass	147.9927217 g/mol
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	173
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