2,4,6-Tribromo-3-Methylphenol

Synopsis, Chemistry

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Also known as: 4619-74-3, Micatex, 2,4,6-tribromo-m-cresol, Triphysan, Triphysol, Tribromometacresol

Molecular Formula

C₇H₅Br₃O

Molecular Weight

344.83 g/mol

InChI Key

QKHROXOPRBWBDD-UHFFFAOYSA-N

FDA UNII

Q3Z845166M

1 2D Structure

2,4,6-Tribromo-3-Methylphenol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4,6-tribromo-3-methylphenol

2.1.2 InChI

InChI=1S/C7H5Br3O/c1-3-4(8)2-5(9)7(11)6(3)10/h2,11H,1H3

2.1.3 InChI Key

QKHROXOPRBWBDD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C(=C(C=C1Br)Br)O)Br

2.2 Other Identifiers

2.2.1 UNII

Q3Z845166M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4619-74-3

2. Micatex

3. 2,4,6-tribromo-m-cresol

4. Triphysan

5. Triphysol

6. Tribromometacresol

7. 3-methyl-2,4,6-tribromophenol

8. M-cresol, 2,4,6-tribromo-

9. Phenol, 2,4,6-tribromo-3-methyl-

10. Nsc-74686

11. Q3z845166m

12. Einecs 225-032-4

13. Nsc 74686

14. Brn 1949974

15. Unii-q3z845166m

16. 2,4,6-tribromo-m-cresol (oh=1)

17. 2,6-tribromo-m-cresol

18. M-cresol,4,6-tribromo-

19. 3-06-00-01324 (beilstein Handbook Reference)

20. 2,6-tribromo-3-methylphenol

21. Schembl467297

22. Wln: Qr Be De Fe C1

23. Chembl3707340

24. Phenol,4,6-tribromo-3-methyl-

25. Dtxsid40196754

26. Chebi:135457

27. Zinc404196

28. 2,4,6-tribromo-m-cresol(oh=1)

29. Nsc74686

30. Mfcd00019976

31. Akos015890412

32. Db13513

33. Hy-w319335

34. (anilinocarbonyl)amino]aceticacid

35. 2,4,6-tribromo-m-cresol [mi]

36. Ac-23681

37. Db-013956

38. 2,4,6-tribromo-m-cresol [who-dd]

39. Cs-0358959

40. Ft-0609839

41. F20934

42. A827005

43. Q7840447

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅Br₃O
Molecular Weight	344.83 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	343.78700 g/mol
Monoisotopic Mass	341.78905 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
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