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Also known as: 533-98-2, Butane, 1,2-dibromo-, Alpha-butylene dibromide, .alpha.-butylene dibromide, 1,2-dibromo-butane, 1,2-dibomobutane
Molecular Formula
C4H8Br2
Molecular Weight
215.91  g/mol
InChI Key
CZWSZZHGSNZRMW-UHFFFAOYSA-N
FDA UNII
8471F50VJI

CAS 533-98-2
1 2D Structure

CAS 533-98-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,2-dibromobutane
2.1.2 InChI
InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3
2.1.3 InChI Key
CZWSZZHGSNZRMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(CBr)Br
2.2 Other Identifiers
2.2.1 UNII
8471F50VJI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 533-98-2

2. Butane, 1,2-dibromo-

3. Alpha-butylene Dibromide

4. .alpha.-butylene Dibromide

5. 1,2-dibromo-butane

6. 1,2-dibomobutane

7. 8471f50vji

8. Nsc-6181

9. Unii-8471f50vji

10. 1,2 Dibromobutane

11. Nsc 6181

12. Butane,2-dibromo-

13. Einecs 208-581-4

14. 1,2-butylene Bromide

15. Ai3-14677

16. .alpha.-butylene Bromide

17. 1,2-dibromobutane, 97%

18. Schembl374715

19. Schembl11253629

20. Dtxsid90870592

21. Nsc6181

22. Amy31902

23. Mfcd00000157

24. (+/-)-1,2-dibromobutane

25. Akos015915306

26. .alpha.-butylene Dibromide [mi]

27. As-56865

28. Db-052330

29. Cs-0204830

30. D0174

31. Ft-0606359

32. D89608

33. J-802009

34. Q27269501

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 215.91 g/mol
Molecular Formula C4H8Br2
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass215.89723 g/mol
Monoisotopic Mass213.89928 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count6
Formal Charge0
Complexity28.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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