4V3F9Q018P

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 99-34-3, Dnba, Dinitrobenzoic acid, Benzoic acid, 3,5-dinitro-, 3-carboxy-1,5-dinitrobenzene, 3,5-dinitro-benzoic acid

Molecular Formula

C₇H₄N₂O₆

Molecular Weight

212.12 g/mol

InChI Key

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

FDA UNII

4V3F9Q018P

1 2D Structure

4V3F9Q018P

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dinitrobenzoic acid

2.1.2 InChI

InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)

2.1.3 InChI Key

VYWYYJYRVSBHJQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

4V3F9Q018P

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3,5-dinitrobenzoate

2. 3,5-dinitrobenzoic Acid, Silver Salt

3. 4-carboxy-2,6-dinitrophenyl

2.3.2 Depositor-Supplied Synonyms

1. 99-34-3

2. Dnba

3. Dinitrobenzoic Acid

4. Benzoic Acid, 3,5-dinitro-

5. 3-carboxy-1,5-dinitrobenzene

6. 3,5-dinitro-benzoic Acid

7. 3,5-dnba

8. Chembl118713

9. Chebi:73914

10. 3,5-dinitrobenzenecarboxylic Acid

11. 4v3f9q018p

12. Nsc-8732

13. Mfcd00007253

14. 3,5-dinitrobenzoic Acid, 99%

15. Ccris 3129

16. 3,5-dinitrobenzoicacid

17. Nsc 8732

18. Einecs 202-751-1

19. Unii-4v3f9q018p

20. Ai3-01801

21. 3,5 Dinitrobenzoic Acid

22. Ec 202-751-1

23. Nciopen2_008996

24. Schembl132541

25. 3,5-dinitrobenzoesa Currencyure

26. Dtxsid7059195

27. Nsc8732

28. Str01728

29. Zinc1648205

30. Bbl019137

31. Bdbm50405315

32. Stk317801

33. Akos000118997

34. 3,5-dinitrobenzoic Acid [mi]

35. Ab00864

36. Ac-5972

37. Am20060766

38. D0824

39. Ft-0614716

40. A846008

41. Cs-006/03892031

42. Q223027

43. Benzoic Acid,3,5-dinitro Mfc7 H4 N2 O6

44. W-100040

45. Z56869296

46. F9995-1665

47. 3,5-dinitrobenzoic Acid, Suitable For Photographic Applications

48. 3,5-dinitrobenzoic Acid, Standard For Quantitative Nmr, Tracecert(r)

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₄N₂O₆
Molecular Weight	212.12 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	212.00693585 g/mol
Monoisotopic Mass	212.00693585 g/mol
Topological Polar Surface Area	129 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	271
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

99-34-3

End Use API

About the Company

Driven by passion, our pharmaceutical products, expertise and technologies accelerate our customers’ sm...

Driven by passion, our pharmaceutical products, expertise and technologies accelerate our customers’ small molecule therapeutics into markets across the world. With over 35 years of API development and manufacturing expertise, a growing team of more than 1,200 experts and a strong presence in the USA and Europe, we are tried and trusted across branded and generic API markets. We put all of our energy and experience into being your partner of choice. We create value for customers through manufacturing excellence, reliable quality and innovative science. Our people are the experts that our customers enjoy working with.

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3,5-Dinitrobenzoic Acid

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CAS Number

99-34-3

End Use API

Vitamin D

About the Company

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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