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Also known as: 41263-74-5, 4-methylamino-3-nitrobenzoic acid, 4-methylamino-3-nitro-benzoic acid, Benzoic acid, 4-(methylamino)-3-nitro-, Mfcd00464322, 4-(methylamino)-3-nitrobenzoicacid
Molecular Formula
C8H8N2O4
Molecular Weight
196.16  g/mol
InChI Key
KSMLIIWEQBYUKA-UHFFFAOYSA-N

CAS 41263-74-5
1 2D Structure

CAS 41263-74-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-(methylamino)-3-nitrobenzoic acid
2.1.2 InChI
InChI=1S/C8H8N2O4/c1-9-6-3-2-5(8(11)12)4-7(6)10(13)14/h2-4,9H,1H3,(H,11,12)
2.1.3 InChI Key
KSMLIIWEQBYUKA-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 41263-74-5

2. 4-methylamino-3-nitrobenzoic Acid

3. 4-methylamino-3-nitro-benzoic Acid

4. Benzoic Acid, 4-(methylamino)-3-nitro-

5. Mfcd00464322

6. 4-(methylamino)-3-nitrobenzoicacid

7. Nsc 138300

8. Nsc138300

9. Lead(ii)fluoride

10. Schembl321911

11. Chembl237731

12. Dtxsid20300675

13. 3-nitro-4-methylaminobenzoic Acid

14. 4-methylamino-3-nitro Benzoicacid

15. 4-methylamino-3-nitro Benzoic Acid

16. Bcp08906

17. Zinc3887891

18. Ac-596

19. Akos000214826

20. Akos015965483

21. Cs-w002629

22. Ds-1047

23. Nsc-138300

24. Bp-30015

25. Sy009730

26. Db-070164

27. A6844

28. Am20061057

29. Bb 0218125

30. Ft-0647367

31. M2423

32. En300-09753

33. 263m745

34. Ae-641/04642006

35. A1-00098

36. J-513766

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 196.16 g/mol
Molecular Formula C8H8N2O4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass196.04840674 g/mol
Monoisotopic Mass196.04840674 g/mol
Topological Polar Surface Area95.2 Ų
Heavy Atom Count14
Formal Charge0
Complexity238
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothAptra Synthesis produces APIs, Pellets (Semi-finished Formulations), and Intermediates.

4-(methyIamino)-3-nitrobenzoic acid

CAS Number : 41263-74-5

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About the Company : Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and intermediates, boasting state-of-the-art manufacturing facilities that adhere to GMP st...

Aptra Synthesis

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Virtual BoothShanghai Minbiotech is the leading producer of biopharmaceuticals and a variety of high-end generic & innovative drugs.

4-Methylamino-3-nitro benzoic acid

CAS Number : 41263-74-5

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About the Company : ​Headquartered in Fengxian District, Shanghai Minbiotech Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. Th...

Shanghai Minbiotech CB

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4-Methylamino-3-nitrobenzoic acid, 99%

CAS Number : 41263-74-5

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About the Company : Established in 2003 with small pilot plant and came in to commercial production in 2013 in the name of Allchem Laboratories, it is an independent privately owned company.Name changed fr...

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Almelo

India
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4-(Methylamino)-3- Nitrobenzoic Acid

CAS Number : CAS-41263-74-5

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About the Company : Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled ...

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Amara Labs

India
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4-METHYLAMINO-3-NITROBENZOIC ACID

CAS Number : 41263-74-5

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About the Company : Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Myl...

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4-Methylamino-3-nitrobenzoic acid

CAS Number : 41263-74-5

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About the Company : Glenfin Chemicals, a trusted provider of high-quality chemical solutions tailored to meet the diverse needs of industries worldwide. Based in the heart of innovation and excellence, we...

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4-Methylamino-3-nitrobenzoic acid

CAS Number : 41263-74-5

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About the Company : We specialize in the supply of API and API related intermediates and services. A significant part of our business comes from the process/production development tailored to our customers...

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Rampex Labs

India
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4-(Methylamino)-3-Nitrobenzoic Acid 

CAS Number : CAS-41263-74-5

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About the Company : We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations st...

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4-N-Methylamino-3-nitro benzoic acid

CAS Number : 41263-74-5

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About the Company : Sigmak Lifesciences is a leading contract manufacturer, merchant exporter, & distributor of pharmaceutical APIs & Fine Chemicals. We excel in Contract Manufacturing, covering a wide spe...

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4-Methylamino-3-nitrobenzoic acid, 99%

CAS Number : CAS-41263-74-5

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About the Company : Venkata Narayana Active Ingredients (Formerly Nutra Specialties Private Limited) Promoted by a well-known business house of India, Mr. Abhaya Kumar Jain who has vast experience in the P...

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