CAS 583-68-6

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Also known as: 583-68-6, 2-bromo-p-toluidine, Benzenamine, 2-bromo-4-methyl-, 4-amino-3-bromotoluene, 2-bromo-4-methylbenzenamine, 2-bromo-4-methyl-phenylamine

Molecular Formula

C₇H₈BrN

Molecular Weight

186.05 g/mol

InChI Key

UVRRJILIXQAAFK-UHFFFAOYSA-N

1 2D Structure

CAS 583-68-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-4-methylaniline

2.1.2 InChI

InChI=1S/C7H8BrN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

2.1.3 InChI Key

UVRRJILIXQAAFK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=C(C=C1)N)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 583-68-6

2. 2-bromo-p-toluidine

3. Benzenamine, 2-bromo-4-methyl-

4. 4-amino-3-bromotoluene

5. 2-bromo-4-methylbenzenamine

6. 2-bromo-4-methyl-phenylamine

7. 3-bromo-4-aminotoluene

8. P-toluidine, 2-bromo-

9. 2-bromo-4-methyl Aniline

10. Mfcd00007635

11. 2-bromotoluidine

12. 4-methyl-2-bromoaniline

13. O-bromo-p-toluidine

14. Nsc 7092

15. Einecs 209-515-7

16. 2-bromo-4-methyl-aniline

17. Nsc7092

18. 2-brom-p-toluidin

19. 2-bromo-4-toluidine

20. P-tertbutylbenzyl Bromide

21. 2-bromanyl-4-methyl-aniline

22. Schembl79877

23. Dtxsid1060396

24. 2-bromo-4-methylaniline, 98%

25. Uvrrjilixqaafk-uhfffaoysa-

26. (2-bromo-4-methyl-phenyl)-amine

27. Zinc388149

28. Act07006

29. Nsc-7092

30. Stl164345

31. Akos000120492

32. Cs-w007636

33. Ps-3357

34. Db-024147

35. A8260

36. Am20040779

37. B0540

38. Ft-0611462

39. C91471

40. A831851

41. J-640229

42. J-800230

43. J-802066

44. W-105395

45. F0001-1523

46. Z219997484

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₈BrN
Molecular Weight	186.05 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	184.98401 g/mol
Monoisotopic Mass	184.98401 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	94.9
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

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