CAS 626-39-1

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Also known as: 626-39-1, Benzene, 1,3,5-tribromo-, 1,3,5-tribromo-benzene, O3td0u1oaq, Mfcd00000080, Nsc-62439

Molecular Formula

C₆H₃Br₃

Molecular Weight

314.80 g/mol

InChI Key

YWDUZLFWHVQCHY-UHFFFAOYSA-N

FDA UNII

O3TD0U1OAQ

1 2D Structure

CAS 626-39-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,5-tribromobenzene

2.1.2 InChI

InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H

2.1.3 InChI Key

YWDUZLFWHVQCHY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C=C1Br)Br)Br

2.2 Other Identifiers

2.2.1 UNII

O3TD0U1OAQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 626-39-1

2. Benzene, 1,3,5-tribromo-

3. 1,3,5-tribromo-benzene

4. O3td0u1oaq

5. Mfcd00000080

6. Nsc-62439

7. Einecs 210-947-3

8. Unii-o3td0u1oaq

9. Nsc 62439

10. Ai3-15483

11. Nsc62439

12. 1,5-tribromobenzene

13. 1,3,5-tribromobezene

14. Benzene,3,5-tribromo-

15. Dsstox_cid_30879

16. Nciopen2_008123

17. Dsstox_gsid_52307

18. Schembl24617

19. Dtxsid3052307

20. 1,3,5-tribromobenzene, 98%

21. 1,3,5-tribromo Benzene

22. Zinc388250

23. Act03250

24. Tox21_303951

25. Cx1334

26. Akos009031625

27. Gs-3046

28. Ncgc00357185-01

29. Cas-626-39-1

30. Sy006267

31. Db-005629

32. Am20061088

33. Cs-0019382

34. T0347

35. En300-20007

36. 26t391

37. 1,3,5-tribromobenzene, Purum, >=98.0% (at)

38. A833903

39. W-104975

40. Q27285289

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₃Br₃
Molecular Weight	314.80 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	313.77644 g/mol
Monoisotopic Mass	311.77849 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	63.3
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