CAS 1122-91-4

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Also known as: 1122-91-4, P-bromobenzaldehyde, Benzaldehyde, 4-bromo-, Benzaldehyde, p-bromo-, 4-bromo-benzaldehyde, 4-bromobenzylaldehyde

Molecular Formula

C₇H₅BrO

Molecular Weight

185.02 g/mol

InChI Key

ZRYZBQLXDKPBDU-UHFFFAOYSA-N

FDA UNII

4L8VM24F65

1 2D Structure

CAS 1122-91-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromobenzaldehyde

2.1.2 InChI

InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H

2.1.3 InChI Key

ZRYZBQLXDKPBDU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C=O)Br

2.2 Other Identifiers

2.2.1 UNII

4L8VM24F65

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1122-91-4

2. P-bromobenzaldehyde

3. Benzaldehyde, 4-bromo-

4. Benzaldehyde, P-bromo-

5. 4-bromo-benzaldehyde

6. 4-bromobenzylaldehyde

7. 4-bromo Benzaldehyde

8. 4-formylbromobenzene

9. Mfcd00003377

10. 4l8vm24f65

11. Nsc-21638

12. P-bromo Benzaldehyde

13. 4-brombenzaldehyde

14. Einecs 214-365-0

15. Nsc 21638

16. Unii-4l8vm24f65

17. 4-brombenzaldehyd

18. 4-bromobenzaldehye

19. Nsc21638

20. P-bromo-benzaldehyde

21. Para-bromobenzaldehyde

22. 4-bromophenyl-methanone

23. 1-bromo-4-formylbenzene

24. (4-bromphenyl)-methanone

25. Schembl6034

26. Benzaldehyde,4-bromo

27. 4-formylphenyl Bromide

28. 4-formyl-1-bromobenzene

29. Chembl3753357

30. Dtxsid5061534

31. Zinc39555

32. Act01174

33. Bcp26999

34. Str01128

35. Stk199261

36. Akos000118910

37. 1-thio-beta-d-glucosesodiumsalt

38. Ac-2431

39. Am81352

40. Cs-w001138

41. Ps-8510

42. Sy001094

43. 4-bromobenzaldehyde, Reagentplus(r), 99%

44. Db-016056

45. B0549

46. Ft-0617855

47. 22b914

48. Ab-131/40654019

49. 4-bromobenzaldehyde, Vetec(tm) Reagent Grade, 98%

50. Q27259983

51. F1294-0143

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅BrO
Molecular Weight	185.02 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	183.95238 g/mol
Monoisotopic Mass	183.95238 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	95.1
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