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Also known as: 627-31-6, Trimethylene diiodide, Propane, 1,3-diiodo-, Trimethylene iodide, K9qfa94xgy, Mfcd00001097
Molecular Formula
C3H6I2
Molecular Weight
295.89  g/mol
InChI Key
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
FDA UNII
K9QFA94XGY

CAS 627-31-6
1 2D Structure

CAS 627-31-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3-diiodopropane
2.1.2 InChI
InChI=1S/C3H6I2/c4-2-1-3-5/h1-3H2
2.1.3 InChI Key
AAAXMNYUNVCMCJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C(CI)CI
2.2 Other Identifiers
2.2.1 UNII
K9QFA94XGY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 627-31-6

2. Trimethylene Diiodide

3. Propane, 1,3-diiodo-

4. Trimethylene Iodide

5. K9qfa94xgy

6. Mfcd00001097

7. Nsc-35647

8. 1,3-diiodopropane(stabilized With Copper Chip)

9. Einecs 210-993-4

10. Nsc 35647

11. Brn 1731117

12. Ai3-52340

13. Propane,3-diiodo-

14. 1,3-diiodo-propane

15. Unii-k9qfa94xgy

16. 1,3-diiodopropane Over Cu

17. 4-01-00-00228 (beilstein Handbook Reference)

18. Schembl133732

19. Dtxsid7060837

20. Nsc35647

21. Zinc95678990

22. Akos015913313

23. Cs-w012156

24. Ds-5063

25. Sy045006

26. 1,3-diiodopropane(stabilizedwithcopperchip)

27. D0611

28. Ft-0606671

29. 1,3-diiodopropane,contains Copper As Stabilizer

30. A833960

31. Q161505

32. J-802014

33. 1,3-diiodopropane, 99%, Contains Copper As Stabilizer

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 295.89 g/mol
Molecular Formula C3H6I2
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass295.85590 g/mol
Monoisotopic Mass295.85590 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count5
Formal Charge0
Complexity12.4
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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01

euroPLX 86 Munich
Not Confirmed
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euroPLX 86 Munich
Not Confirmed

1,3-Diiodopropane

CAS Number : 627-31-6

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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