Butyltriphenylphosphonium Bromide

Synopsis, Chemistry

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Also known as: 1779-51-7, N-butyltriphenylphosphonium bromide, (1-butyl)triphenylphosphonium bromide, Phosphonium, butyltriphenyl-, bromide, Butyl(triphenyl)phosphanium;bromide, Phosphonium, butyltriphenyl-, bromide (1:1)

Molecular Formula

C₂₂H₂₄BrP

Molecular Weight

399.3 g/mol

InChI Key

IKWKJIWDLVYZIY-UHFFFAOYSA-M

1 2D Structure

Butyltriphenylphosphonium Bromide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

butyl(triphenyl)phosphanium;bromide

2.1.2 InChI

InChI=1S/C22H24P.BrH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1

2.1.3 InChI Key

IKWKJIWDLVYZIY-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Butyltriphenylphosphonium

2.2.2 Depositor-Supplied Synonyms

1. 1779-51-7

2. N-butyltriphenylphosphonium Bromide

3. (1-butyl)triphenylphosphonium Bromide

4. Phosphonium, Butyltriphenyl-, Bromide

5. Butyl(triphenyl)phosphanium;bromide

6. Phosphonium, Butyltriphenyl-, Bromide (1:1)

7. (n-butyl)triphenylphosphonium Bromide

8. Butyl(triphenyl)phosphonium Bromide

9. N-butyltriphenylphosphonium Chloride

10. Einecs 217-219-4

11. Nsc 59684

12. C22h24brp

13. Mfcd00011855

14. Schembl1063

15. Chembl4792223

16. Butyl Triphenylphosphonium Bromide

17. Butyl(triphenyl)phosphonium Iodide

18. Dtxsid90883581

19. Butyl(triphenyl)phosphanium,bromide

20. Butyl-triphenyl Phosphonium Bromide

21. Triphenyl Butyl Phosphonium Bromide

22. Amy39371

23. Bcp22515

24. N-butyl-triphenylphosphonium Bromide

25. Nsc59684

26. (1-butyl)triphenylphosphoniumbromide

27. N-butyl Triphenyl-phosphonium Bromide

28. Nsc-59684

29. Akos015963276

30. Butyltriphenylphosphonium Bromide, 99%

31. Cs-w009726

32. Gc10168

33. As-12138

34. Db-005492

35. B0970

36. Ft-0623340

37. J-011337

38. J-519973

39. Q-200774

40. (1-butyl)triphenylphosphonium Bromide;butyl Triphenyl Phosphine Bromide;butyl Triphenyl Phosphorous Bromide;butyltriphenylphosphonium Bromide;n-butyltriphenylphosphonium Bromide;tbp

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₄BrP
Molecular Weight	399.3 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	398.07990 g/mol
Monoisotopic Mass	398.07990 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	273
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	2