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CAS 6320-40-7 manufacturers and suppliers on PharmaCompass

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  • Chemistry
4CH-014789
Also known as: 6320-40-7, 1,3,5-tribromo-2-methylbenzene, Benzene, 1,3,5-tribromo-2-methyl-, 2,4,6,tribromotoluene, Mfcd00013527, Nsc31887
Molecular Formula
C7H5Br3
Molecular Weight
328.83  g/mol
InChI Key
BFRIZWKDNUHPHL-UHFFFAOYSA-N

1 2D Structure

4CH-014789

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3,5-tribromo-2-methylbenzene
2.1.2 InChI
InChI=1S/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3
2.1.3 InChI Key
BFRIZWKDNUHPHL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1Br)Br)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6320-40-7

2. 1,3,5-tribromo-2-methylbenzene

3. Benzene, 1,3,5-tribromo-2-methyl-

4. 2,4,6,tribromotoluene

5. Mfcd00013527

6. Nsc31887

7. Einecs 228-672-2

8. 2,4,6-tribromtoluol

9. 2,4,6-tribrom-toluol

10. Schembl642403

11. Dtxsid60212566

12. Bcp34575

13. Zinc1664051

14. Ck1104

15. Nsc 31887

16. Nsc-31887

17. Akos015889067

18. Am83280

19. Cs-w009419

20. Ds-6312

21. Ac-28590

22. Sy022897

23. Db-054428

24. Ft-0609845

25. Benzene, 1,3,5-tribromo-2-methyl-;1,3,5-tribromo-2-methylbenzene

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 328.83 g/mol
Molecular Formula C7H5Br3
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass327.79209 g/mol
Monoisotopic Mass325.79414 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity103
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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