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Also known as: 593-71-5, Chloro(iodo)methane, Methane, chloroiodo-, Iodochloromethane, Chloro-iodomethane, Chloroiodomethane; chloromethyl iodide
Molecular Formula
CH2ClI
Molecular Weight
176.38  g/mol
InChI Key
PJGJQVRXEUVAFT-UHFFFAOYSA-N

CAS 593-71-5
1 2D Structure

CAS 593-71-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
chloro(iodo)methane
2.1.2 InChI
InChI=1S/CH2ClI/c2-1-3/h1H2
2.1.3 InChI Key
PJGJQVRXEUVAFT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(Cl)I
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 593-71-5

2. Chloro(iodo)methane

3. Methane, Chloroiodo-

4. Iodochloromethane

5. Chloro-iodomethane

6. Chloroiodomethane; Chloromethyl Iodide

7. Methylene Chloroiodide

8. Chloroiodomethane, Polymorph Iii

9. Chloro-iodo-methane

10. Chloroiodo-methane

11. Einecs 209-804-8

12. Mfcd00001078

13. Clch2i

14. Ich2cl

15. Chloroiodomethane, 97%

16. Unii-x7af9wg7cx

17. X7af9wg7cx

18. Schembl35847

19. Pjgjqvrxeuvaft-uhfffaoysa-

20. Amy2690

21. Dtxsid50208034

22. Chloroiodomethane Stabilized Over Cu

23. C1179

24. Akos015850790

25. Bp-10639

26. Db-053375

27. Cs-0015110

28. Ft-0623669

29. D78022

30. A832287

31. Q421730

32. F0001-1556

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 176.38 g/mol
Molecular Formula CH2ClI
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass175.88898 g/mol
Monoisotopic Mass175.88898 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count3
Formal Charge0
Complexity4.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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