CAS 593-71-5

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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

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 Formula	CH₂ClI
Molecular Weight	176.38 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	175.88898 g/mol
Monoisotopic Mass	175.88898 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	3
Formal Charge	0
Complexity	4.8
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