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CAS 99-61-6
Also known as: 99-61-6, M-nitrobenzaldehyde, Benzaldehyde, 3-nitro-, 3-formylnitrobenzene, Meta-nitrobenzaldehyde, Benzaldehyde, m-nitro-
Molecular Formula
C7H5NO3
Molecular Weight
151.12  g/mol
InChI Key
ZETIVVHRRQLWFW-UHFFFAOYSA-N
FDA UNII
G4O92KO71Z

1 2D Structure

CAS 99-61-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-nitrobenzaldehyde
2.1.2 InChI
InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H
2.1.3 InChI Key
ZETIVVHRRQLWFW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C=O
2.2 Other Identifiers
2.2.1 UNII
G4O92KO71Z
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Meta-nitrobenzaldehyde

2.3.2 Depositor-Supplied Synonyms

1. 99-61-6

2. M-nitrobenzaldehyde

3. Benzaldehyde, 3-nitro-

4. 3-formylnitrobenzene

5. Meta-nitrobenzaldehyde

6. Benzaldehyde, M-nitro-

7. 5-nitrobenzaldehyde

8. 3-nitro-benzaldehyde

9. Mfcd00007249

10. G4o92ko71z

11. Nsc-5504

12. Ccris 1784

13. Nsc 5504

14. Einecs 202-772-6

15. Unii-g4o92ko71z

16. Ai3-08906

17. M-nitro-benzaldehyde

18. 3-nitro Benzaldehyde

19. 3-nitrobenzenealdehyde

20. (3-nitrophenyl)methanone

21. Wln: Wnr Cvh

22. 3-nitrobenzenecarboxaldehyde

23. Ec 202-772-6

24. 3-nitrobenzaldehyde, 99%

25. Dsstox_cid_29342

26. Dsstox_rid_83458

27. Dsstox_gsid_49383

28. Schembl54487

29. Chembl238132

30. Dtxsid8049383

31. Nsc5504

32. Zinc163576

33. Act07098

34. Amy14935

35. Tox21_202955

36. Bbl011958

37. Stk199270

38. Akos000118886

39. Cs-w018126

40. Ps-3388

41. Cas-99-61-6

42. Meta-nitrobenzaldehyde M-nitrobenzaldehyde

43. Ncgc00260501-01

44. Ac-10904

45. Sy001556

46. 3-nitrobenzaldehyde, Reagentplus(r), 99%

47. Db-024310

48. Ft-0616232

49. N0129

50. 3-nitrobenzaldehyde, Technical, >=95% (gc)

51. A846056

52. Ap-065/40233249

53. 3-nitrobenzaldehyde, Vetec(tm) Reagent Grade, 98%

54. Q2816007

55. W-100029

56. F1294-0141

57. Cyclohexane-1,2-diamine; 5-(1,2-dihydroxyethyl)-3-hydroxy-4-oxo-furan-2-olate; Platinum(2+)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 151.12 g/mol
Molecular Formula C7H5NO3
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass151.026943022 g/mol
Monoisotopic Mass151.026943022 g/mol
Topological Polar Surface Area62.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Meta-Nitrobenzaldehyde
Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this exp...
Indian Drugs & Chemicals has a wealth of knowledge & expertise that’s incomparable. We utilize this experience to provide both companies & individuals with immersible quality products. In addition, we ensure that we stay ahead of the industry curve by using the latest technologies. Rest assured that no matter what you need, you can rely on us to provide the absolute best. Mr. Manish Jatia, the founder has been in the industry for over 40 years who has build companies, products catering to the world market. He has been a foundation for Unique Labs, Hermes Labs & has partnerships with Omshri Labs to cater to the market of Human & Vet. API.
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Rupal Chemicals gradually entered into the field of manufacturing Organic Peroxides, the proccesses were ...
Rupal Chemicals gradually entered into the field of manufacturing Organic Peroxides, the proccesses were developed in its own sophisticated R&D laboratory and in a short span gained the reputation in this field and was able to reach out to the customers in local and global market with its vast production capacity without making any compromise on consistent product quality.
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