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Also known as: 638-45-9, Hexyl iodide, N-hexyl iodide, Hexane, 1-iodo-, 1-hexyl iodide, Iodohexane
Molecular Formula
C6H13I
Molecular Weight
212.07  g/mol
InChI Key
ANOOTOPTCJRUPK-UHFFFAOYSA-N
FDA UNII
27F4BFU2DR

CAS 638-45-9
1 2D Structure

CAS 638-45-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-iodohexane
2.1.2 InChI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3
2.1.3 InChI Key
ANOOTOPTCJRUPK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCI
2.2 Other Identifiers
2.2.1 UNII
27F4BFU2DR
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 638-45-9

2. Hexyl Iodide

3. N-hexyl Iodide

4. Hexane, 1-iodo-

5. 1-hexyl Iodide

6. Iodohexane

7. 1-iodo-hexane

8. 1-iodo-n-hexane

9. Hexane,1-iodo-

10. 27f4bfu2dr

11. Nsc-9251

12. Mfcd00001102

13. Nsc 9251

14. Einecs 211-339-0

15. 25495-92-5

16. N-hexyliodide

17. Iodo-hexane

18. 6-iodohexane

19. 1 -iodohexane

20. 1-iodo Hexane

21. Einecs 247-034-4

22. 1-iodohepxane

23. Unii-27f4bfu2dr

24. Dsstox_cid_29298

25. Dsstox_rid_83416

26. Dsstox_gsid_49341

27. N-c6h13i

28. Schembl189651

29. Chembl3188734

30. Dtxsid2049341

31. Anootoptcjrupk-uhfffaoysa-

32. Nsc9251

33. Zinc1699881

34. Tox21_202862

35. Bbl011465

36. Stl146577

37. Akos000119807

38. Ncgc00260408-01

39. 1-iodohexane, Purum, >=97.0% (gc)

40. Cas-638-45-9

41. Vs-02954

42. 1-iodohexane Contains Copper As Stabilizer

43. Cs-0132388

44. Ft-0607963

45. I0059

46. F20355

47. A834555

48. J-802255

49. 1-iodohexane, Contains Copper As Stabilizer, >=98%

50. F8880-7919

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 212.07 g/mol
Molecular Formula C6H13I
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass212.00620 g/mol
Monoisotopic Mass212.00620 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.4
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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SUPPLIERS

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SupplySide West 2024
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SupplySide West 2024
Not Confirmed

1-iodohexane

CAS Number : 638-45-9

End Use API :

About the Company : At Infinium Pharmachem Pvt. Ltd., we are well focused to Iodine chemistry & this is the only core area of ours. We are working as CRAMS, but our domain is very restricted to Iodine chem...

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END USE APIs

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