Close
4

Bora CDMO Bora CDMO

X

CAS 140-53-4 manufacturers and suppliers on PharmaCompass

PharmaCompass
  • Chemistry
CAS 140-53-4
Also known as: 140-53-4, (4-chlorophenyl)acetonitrile, 4-chlorophenylacetonitrile, 2-(4-chlorophenyl)acetonitrile, Benzeneacetonitrile, 4-chloro-, P-chlorobenzyl cyanide
Molecular Formula
C8H6ClN
Molecular Weight
151.59  g/mol
InChI Key
IVYMIRMKXZAHRV-UHFFFAOYSA-N
FDA UNII
K2K7AKZ2Z7

1 2D Structure

CAS 140-53-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(4-chlorophenyl)acetonitrile
2.1.2 InChI
InChI=1S/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
2.1.3 InChI Key
IVYMIRMKXZAHRV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1CC#N)Cl
2.2 Other Identifiers
2.2.1 UNII
K2K7AKZ2Z7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 140-53-4

2. (4-chlorophenyl)acetonitrile

3. 4-chlorophenylacetonitrile

4. 2-(4-chlorophenyl)acetonitrile

5. Benzeneacetonitrile, 4-chloro-

6. P-chlorobenzyl Cyanide

7. 4-chlorobenzeneacetonitrile

8. (p-chlorophenyl)acetonitrile

9. Acetonitrile, (p-chlorophenyl)-

10. P-chlorophenylacetonitrile

11. 4-chlorobenzylcyanide

12. 4-chlor-benzyl-cyanid

13. Mfcd00001918

14. Nsc 49108

15. K2k7akz2z7

16. 2-(4-chlorophenyl)-acetonitrile

17. Nsc-49108

18. Ccris 9100

19. 4-chlor-benzyl-cyanid [german]

20. Einecs 205-418-9

21. Brn 0971171

22. Ai3-05596

23. 4-chloro-benzeneacetonitrile

24. 4-chloro-benzylcyanide

25. P-chlorphenylacetonitrile

26. 4-chlorophenyacetonitrile

27. 4-chlorophenylacetonitriie

28. P-chlorophenyl-acetonitrile

29. P-chlorbenzylnitrile

30. 4-chlorophenyl Acetonitrile

31. 4-chlorophenyl-acetonitrile

32. Unii-k2k7akz2z7

33. 4-chlorobenzene-acetonitrile

34. P-chloro Phenyl Acetonitrile

35. Dsstox_cid_30263

36. Dsstox_gsid_51708

37. Schembl38192

38. (p-chlorophenyl)-acetonitrile

39. 4-09-00-01676 (beilstein Handbook Reference)

40. (4-chlorophenyl)-acetonitrile

41. 4-chlorobenzyl Nitrile

42. Chlorobenzyl Cyanide, P-

43. Dtxsid8051708

44. 2-(4-chlorophenyl) Acetonitrile

45. Chebi:17346

46. 2-(4-chloro-phenyl)-acetonitrile

47. Zinc157142

48. Nsc49108

49. (4-chlorophenyl)acetonitrile, 96%

50. Tox21_303864

51. Stk202113

52. P-chloro-.alpha.-cyanotoluene

53. Akos000119502

54. Ac-4376

55. Am10673

56. Cs-w018106

57. Pb48045

58. Ps-5408

59. Ncgc00357129-01

60. Cas-140-53-4

61. Db-000223

62. Acetic Acid,(4-chlorophenyl),nitrile

63. Ft-0618248

64. Pyrimethamine Impurity C [ep Impurity]

65. A23320

66. C03679

67. D70879

68. W-108204

69. Q27102330

70. F0001-0482

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 151.59 g/mol
Molecular Formula C8H6ClN
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass151.0188769 g/mol
Monoisotopic Mass151.0188769 g/mol
Topological Polar Surface Area23.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity139
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY