DSSTox_CID_30118

Synopsis, Chemistry

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Also known as: 1100-88-5, Triphenylbenzylphosphonium chloride, Phosphonium, triphenyl(phenylmethyl)-, chloride, Benzyl(triphenyl)phosphanium;chloride, Benzyl triphenylphosphonium chloride, Benzyl triphenyl phosphonium chloride

Molecular Formula

C₂₅H₂₂ClP

Molecular Weight

388.9 g/mol

InChI Key

USFRYJRPHFMVBZ-UHFFFAOYSA-M

1 2D Structure

DSSTox_CID_30118

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

benzyl(triphenyl)phosphanium;chloride

2.1.2 InChI

InChI=1S/C25H22P.ClH/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1

2.1.3 InChI Key

USFRYJRPHFMVBZ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1100-88-5

2. Triphenylbenzylphosphonium Chloride

3. Phosphonium, Triphenyl(phenylmethyl)-, Chloride

4. Benzyl(triphenyl)phosphanium;chloride

5. Benzyl Triphenylphosphonium Chloride

6. Benzyl Triphenyl Phosphonium Chloride

7. Einecs 214-154-3

8. Mfcd00011913

9. Nsc 116712

10. Phosphonium, Benzyltriphenyl-, Chloride

11. (benzyl)triphenylphosphonium Chloride

12. Benzyl(triphenyl)phosphonium Chloride

13. Benzyl-triphenyl-phosphonium Chloride

14. Schembl494

15. Dsstox_cid_30118

16. Dsstox_gsid_51566

17. Benyltriphenylphosphonium Chloride

18. Benzyltriphenyphosphonium Chloride

19. Chembl3561634

20. Dtxsid6051566

21. Phosphonium, Triphenyl(phenylmethyl)-, Chloride (1:1)

22. Benzyl-triphenylphosphoniumchloride

23. Benzyl-triphenylphosphonium Chloride

24. Benzyltriphenyl Phosphonium Chloride

25. Amy42219

26. Bcp24504

27. Tox21_303954

28. Triphenyl Benzyl Phosphonium Chloride

29. Nsc116712

30. Benzyl (triphenyl)phosphonium Chloride

31. Akos015888242

32. Akos025117490

33. Cs-w009328

34. Jc10092

35. Nsc-116712

36. Ncgc00357188-01

37. Cas-1100-88-5

38. B0824

39. Ft-0622789

40. Triphenyl(phenylmethyl)phosphonium Chloride

41. W-108696

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₂ClP
Molecular Weight	388.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	388.1147654 g/mol
Monoisotopic Mass	388.1147654 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	347
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