CAS 121-89-1

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 121-89-1, 3-nitroacetophenone, M-nitroacetophenone, 1-(3-nitrophenyl)ethanone, Ethanone, 1-(3-nitrophenyl)-, M-acetylnitrobenzene

Molecular Formula

C₈H₇NO₃

Molecular Weight

165.15 g/mol

InChI Key

ARKIFHPFTHVKDT-UHFFFAOYSA-N

FDA UNII

SU4B5T763F

1 2D Structure

CAS 121-89-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(3-nitrophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H7NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3

2.1.3 InChI Key

ARKIFHPFTHVKDT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

2.2 Other Identifiers

2.2.1 UNII

SU4B5T763F

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 121-89-1

2. 3-nitroacetophenone

3. M-nitroacetophenone

4. 1-(3-nitrophenyl)ethanone

5. Ethanone, 1-(3-nitrophenyl)-

6. M-acetylnitrobenzene

7. Acetophenone, 3'-nitro-

8. Methyl 3-nitrophenyl Ketone

9. Usaf Ma-1

10. (3-nitrophenyl) Methyl Ketone

11. 3-nitroacetofenon

12. 3-nitro Acetophenone

13. Nsc 5511

14. 1-(3-nitrophenyl)ethan-1-one

15. Mfcd00007259

16. 1-(3-nitrophenyl)-ethanone

17. Su4b5t763f

18. Nsc-5511

19. 3'-nitroacetophenone;3'-nitroacetophenone

20. 1-{3-nitrophenyl}ethanone

21. 3-nitroacetofenon [czech]

22. Ccris 2330

23. Hsdb 2710

24. 1-acetyl-3-nitrobenzene

25. Einecs 204-504-3

26. Unii-su4b5t763f

27. Ai3-02242

28. 3''-nitroacetophenone

29. 3'-nitro-acetophenone

30. Dsstox_cid_5722

31. 3 Inverted Exclamation Mark -nitroacetophenone

32. Wln: Wnr Cv1

33. (3-nitrophenyl)methylketone

34. Cambridge Id 5102515

35. Dsstox_rid_77891

36. Meta-nitroacetophenone

37. Dsstox_gsid_25722

38. Schembl54610

39. Mls002415744

40. 1-(3-nitrophenyl)ethanone #

41. Schembl2617114

42. Chembl1327526

43. Dtxsid1025722

44. Nsc5511

45. Hms3039o12

46. M-nitroacetophenone [hsdb]

47. Zinc148003

48. Amy40202

49. Str00971

50. Tox21_200737

51. Stl183285

52. Akos000119652

53. Cs-w020548

54. Ncgc00091314-01

55. Ncgc00091314-02

56. Ncgc00258291-01

57. Ac-25903

58. Cas-121-89-1

59. Smr001370908

60. Sy001185

61. Db-041636

62. 3'-nitroacetophenone, Reagentplus(r), 99%

63. Ft-0616229

64. N0109

65. 3'-nitroacetophenone, Purum, >=98.0% (gc)

66. D70891

67. A804807

68. Aq-917/40187877

69. W-108447

70. 3'-nitroacetophenone, Vetec(tm) Reagent Grade, 98%

71. Q27289401

72. Z57127467

73. F3098-5170

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇NO₃
Molecular Weight	165.15 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	165.042593085 g/mol
Monoisotopic Mass	165.042593085 g/mol
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	197
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

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CAS Number

121-89-1

End Use API

About the Company

ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation ...

ESBR Labs is a research and manufacturing organization, which supports R&D programs from lead generation to clinical studies. We also provide support for Fine chemicals, APIs and API Intermediates, custom synthesis, reference standards, impurity synthesis, small library synthesis and process development & committed to deliver on time. We are strongly committed on client satisfaction, quality, safety, ethics and integrity. Our ability to deliver significant value to our customers by leveraging our scientific skills, global mind set and cost competitiveness differentiates us as one of the most trusted partners.

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CAS Number

121-89-1

End Use API

Etilefrine

About the Company

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...

We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.

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