CAS 106-39-8

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Also known as: 4-bromochlorobenzene, 106-39-8, P-bromochlorobenzene, 4-chlorobromobenzene, P-chlorobromobenzene, Benzene, 1-bromo-4-chloro-

Molecular Formula

C₆H₄BrCl

Molecular Weight

191.45 g/mol

InChI Key

NHDODQWIKUYWMW-UHFFFAOYSA-N

FDA UNII

LXY3B1SO4F

1 2D Structure

CAS 106-39-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-4-chlorobenzene

2.1.2 InChI

InChI=1S/C6H4BrCl/c7-5-1-3-6(8)4-2-5/h1-4H

2.1.3 InChI Key

NHDODQWIKUYWMW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1Cl)Br

2.2 Other Identifiers

2.2.1 UNII

LXY3B1SO4F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 4-bromochlorobenzene

2. 106-39-8

3. P-bromochlorobenzene

4. 4-chlorobromobenzene

5. P-chlorobromobenzene

6. Benzene, 1-bromo-4-chloro-

7. P-chlorophenyl Bromide

8. 4-chlorophenyl Bromide

9. 1-chloro-4-bromobenzene

10. 4-chloro-1-bromobenzene

11. P-bromoclorobenzene

12. 4-bromo-1-chlorobenzene

13. P-bromophenyl Chloride

14. 1-bromo-4-chloro-benzene

15. Nsc 17587

16. Lxy3b1so4f

17. Nsc-17587

18. Bromochlorobenzene, P-

19. 1,4-bromochlorobenzene

20. Einecs 203-392-3

21. Unii-lxy3b1so4f

22. Ai3-15313

23. 4-bromchlorobenzene

24. P-chlorophenylbromide

25. Mfcd00000600

26. 4-bromo Chlorobenzene

27. 4-bromo-chlorobenzene

28. 4-chloro-bromobenzene

29. Para-bromochlorobenzene

30. 1-bromo4-chlorobenzene

31. 4-bromophenyl Chloride

32. Schembl197605

33. Dtxsid4059338

34. 1-bromo-4-chlorobenzene, 99%

35. Zinc404309

36. Nsc17587

37. Str00662

38. Akos000202636

39. Am807352

40. 1-bromo-4-chlorobenzene, Analytical Standard

41. B0571

42. Cs-0015927

43. Ft-0607498

44. D86052

45. A852294

46. J-514814

47. Q27283247

48. F0001-0118

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄BrCl
Molecular Weight	191.45 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	189.91849 g/mol
Monoisotopic Mass	189.91849 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	66.9
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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