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CAS 7677-24-9

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Chemistry

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Also known as: 7677-24-9, Trimethylsilanecarbonitrile, Cyanotrimethylsilane, Trimethylsilylcyanide, Trimethylsilylformonitrile, Silanecarbonitrile, trimethyl-

Molecular Formula

C₄H₉NSi

Molecular Weight

99.21 g/mol

InChI Key

LEIMLDGFXIOXMT-UHFFFAOYSA-N

Trimethylsilyl cyanide is a chemical compound of cyanide. It is used in organic synthesis. (L106)

1 2D Structure

CAS 7677-24-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

trimethylsilylformonitrile

2.1.2 InChI

InChI=1S/C4H9NSi/c1-6(2,3)4-5/h1-3H3

2.1.3 InChI Key

LEIMLDGFXIOXMT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C[Si](C)(C)C#N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Tmscn

2.2.2 Depositor-Supplied Synonyms

1. 7677-24-9

2. Trimethylsilanecarbonitrile

3. Cyanotrimethylsilane

4. Trimethylsilylcyanide

5. Trimethylsilylformonitrile

6. Silanecarbonitrile, Trimethyl-

7. Trimethylsilylnitrile

8. Trimethylsilane Carbonitrile

9. Trimethylsilylcarbonitrile

10. Mfcd00001765

11. Tms Cyanide

12. Tmscn

13. Trimethyl Silyl Cyanide

14. Trimethyl Silane Cyanide

15. Tms-cyanide

16. Cyanotrimethlysilane

17. Trimethylcyanosilane

18. Trimethylsilylcyanid

19. Trimethysilylcyanide

20. Cyanotrimethyl Silane

21. Cyanotrimethyl-silane

22. Einecs 231-657-3

23. Trimethysilyl Cyanide

24. Me3sicn

25. Trimethylsilanecyanide

26. Tri-methylsilylcyanide

27. Trimethyl Silylcyanide

28. Trimethylsilyl-cyanide

29. Trimethyl Cyano Silane

30. Tri-methylsilyl Cyanide

31. Trimethyl-silyl Cyanide

32. (trimethylsilyl)cyanide

33. Trimethyl Silyl Nitrile

34. Tms-cn

35. Trimethylsilyl-formonitrile

36. Trimethylsilylcyanide,99%

37. Trimethylsilylmethanenitrile

38. (ch3)3sicn

39. (trimethylsilyl)formonitrile

40. Trimethylsilanecarbonitrile #

41. Trimethylsilyl Cyanide, 98%

42. Trimethylsilyl Cyanide, 97%

43. Dtxsid9064766

44. Amy6985

45. Act02612

46. Albb-018705

47. Bcp25853

48. Trimethylsilyl Cyanide-[13c,15n]

49. Bbl036271

50. Stl558690

51. Akos000121901

52. Zinc169743077

53. Pb23143

54. Bp-11377

55. Ls-06137

56. Db-030488

57. Cs-0015833

58. Ft-0647485

59. T0990

60. En300-29571

61. S19150

62. Trimethylsilyl Cyanide, Technical, >=95% (gc)

63. A838824

64. Q3008073

65. F0001-1959

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₄H₉NSi
Molecular Weight	99.21 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	23.8
Heavy Atom Count	6
Formal Charge	0
Complexity	81.5
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

4 Drug and Medication Information

4.1 Minimum/Potential Fatal Human Dose

200 to 300 milligrams for an adult human (cyanide salts). (T86)

5 Pharmacology and Biochemistry

5.1 Metabolism/Metabolites

Organic nitriles are converted into cyanide ions through the action of cytochrome P450 enzymes in the liver. Cyanide is rapidly absorbed and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)

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