CAS 694-80-4

Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients, & custom-made solutions to our customers.

Virtual Booth

Contact Supplier

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 2-bromochlorobenzene, 694-80-4, 2-chlorobromobenzene, Bromochlorobenzene, O-bromochlorobenzene, O-chlorobromobenzene

Molecular Formula

C₆H₄BrCl

Molecular Weight

191.45 g/mol

InChI Key

QBELEDRHMPMKHP-UHFFFAOYSA-N

FDA UNII

PEC7Z3YX6P

1 2D Structure

CAS 694-80-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-2-chlorobenzene

2.1.2 InChI

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

2.1.3 InChI Key

QBELEDRHMPMKHP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)Cl)Br

2.2 Other Identifiers

2.2.1 UNII

PEC7Z3YX6P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2-bromochlorobenzene

2. 694-80-4

3. 2-chlorobromobenzene

4. Bromochlorobenzene

5. O-bromochlorobenzene

6. O-chlorobromobenzene

7. Benzene, 1-bromo-2-chloro-

8. 2-bromo-1-chlorobenzene

9. 1-chloro-2-bromobenzene

10. 1-bromo-2-chloro-benzene

11. Benzene, Bromochloro-

12. 28906-38-9

13. Pec7z3yx6p

14. Nsc-59694

15. 2-bromochluorobenzene

16. Unii-pec7z3yx6p

17. Unii-z0w07y466g

18. Chlorobromobenzene

19. Bromochlorobenzene (mixed Isomers)

20. 2-bromoclorobenzene

21. Einecs 211-775-1

22. Einecs 249-303-1

23. Mfcd00000532

24. Nsc 59694

25. 2-chlorophenyl Bromide

26. Ai3-31290

27. O-bromophenyl Chloride

28. 2-bromophenyl Chloride

29. Schembl251393

30. 1-bromanyl-2-chloranyl-benzene

31. 1-bromo-2-chlorobenzene, 99%

32. Dtxsid30870758

33. Z0w07y466g

34. Zinc404308

35. Nsc59694

36. Str07176

37. Akos005265527

38. Cs-w004051

39. Db-020717

40. 1-bromo-2-chlorobenzene, Analytical Standard

41. A9191

42. Am20050050

43. B0569

44. Ft-0611547

45. En300-31033

46. D77645

47. A836511

48. W-104621

49. Q27286505

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₄BrCl
Molecular Weight	191.45 g/mol
XLogP3	3.2
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	74.9
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

CAS 694-80-4 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?