4-Nitrobenzoic acid
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 558659

CAS#: 62-23-7

Description: 4-Nitrobenzoic acid is an intermediate for bulk drugs especially in the manufacturing of folic acid and in the manufacturing of PABA, DABA & dye intermediate.


Chemical Structure

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4-Nitrobenzoic acid
CAS# 62-23-7

Theoretical Analysis

MedKoo Cat#: 558659
Name: 4-Nitrobenzoic acid
CAS#: 62-23-7
Chemical Formula: C7H5NO4
Exact Mass: 167.02
Molecular Weight: 167.12
Elemental Analysis: C, 50.31; H, 3.02; N, 8.38; O, 38.29

Price and Availability

Size Price Availability Quantity
250.0g USD 200.0 2 Weeks
1.0kg USD 340.0 2 Weeks
5.0kg USD 665.0 2 Weeks
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Synonym: 4-Nitrobenzoic acid; 4Nitrobenzoic acid; 4 Nitrobenzoic acid; Kyselina p-nitrobenzoova; Nitrodracylic acid;

IUPAC/Chemical Name: 4-Nitrobenzoic acid

InChi Key: OTLNPYWUJOZPPA-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)

SMILES Code: O=C(O)C1=CC=C([N+]([O-])=O)C=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >3 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.03.00

Preparing Stock Solutions

The following data is based on the product molecular weight 167.12 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Smith G. The structures of the isomorphous potassium and rubidium salts of 4-nitrobenzoic acid and an overview of the metal complex stereochemistries of the alkali metal salt series with this ligand. Acta Crystallogr C Struct Chem. 2015 Jun;71(Pt 6):499-505. doi: 10.1107/S205322961500947X. Epub 2015 May 27. PubMed PMID: 26044333.

2: Smith G. Hydrogen-bonded two- and three-dimensional polymeric structures in the ammonium salts of 3,5-dinitrobenzoic acid, 4-nitrobenzoic acid and 2,4-dichlorobenzoic acid. Acta Crystallogr C Struct Chem. 2014 Mar;70(Pt 3):315-9. doi: 10.1107/S2053229614002459. Epub 2014 Feb 13. PubMed PMID: 24594725.

3: Selvakumar E, Anandha babu G, Ramasamy P, Rajnikant, Murugesan V, Chandramohan A. Synthesis, growth and spectroscopic investigation of an organic molecular charge transfer crystal: 8-hydroxy quinolinium 4-nitrobenzoate 4-nitrobenzoic acid. Spectrochim Acta A Mol Biomol Spectrosc. 2014 Jan 3;117:259-63. doi: 10.1016/j.saa.2013.07.097. Epub 2013 Aug 8. PubMed PMID: 23995602.

4: Kuzniar EJ, James SP. Influence of the gut microflora on the metabolism of 4-nitrobenzoic acid in the marmoset. Xenobiotica. 1981 Oct;11(10):675-83. PubMed PMID: 6976659.

5: Sharma S, Mukhopadhyay M, Murthy ZV. Investigation of UV-assisted chlorophenol congeners' degradation by organic oxidant p-nitrobenzoic acid in basic media. Water Sci Technol. 2013;67(11):2418-27. doi: 10.2166/wst.2013.131. PubMed PMID: 23752372.

6: Shakoor S, Ahsan T, Jabeen K, Raza M, Hasan R. Use of p-nitrobenzoic acid in 7H10 agar for identification of Mycobacterium tuberculosis complex: a field study. Int J Tuberc Lung Dis. 2010 Dec;14(12):1644-6. PubMed PMID: 21144253.

7: Wu LZ, Tan SY, Tan YJ, Jian YL, Kuang L, Pan MY, Zeng SF, Liu YW, Zhong BT. [Comparison of P-nitrobenzoic acid and hydroxylamine hydrochloride for the primary screening of mycobacterial species]. Zhonghua Jie He He Hu Xi Za Zhi. 2013 Nov;36(11):833-5. Chinese. PubMed PMID: 24507395.

8: CANNAVA A, CHIARLO B. [Pressor action of some aromatic sulfocyanates; 2-sulfocyanbenzoic acid and 2-sulfocyan-4-nitrobenzoic acid]. Boll Soc Ital Biol Sper. 1951 Mar-Apr;27(4):617-9. Undetermined Language. PubMed PMID: 14869490.

9: Wang G, Yu X, Liang Q, Chen S, Wilson S, Huang H. Evaluation of a simple in-house test to presumptively differentiate Mycobacterium tuberculosis complex from nontuberculous mycobacteria by detection of p-nitrobenzoic acid metabolites. PLoS One. 2013 Nov 18;8(11):e80877. doi: 10.1371/journal.pone.0080877. eCollection 2013. PubMed PMID: 24260497; PubMed Central PMCID: PMC3832607.

10: Smith G, Lynch DE. Crystal structures of the co-crystalline adduct 5-(4-bromo-phen-yl)-1,3,4-thia-diazol-2-amine-4-nitro-benzoic acid (1/1) and the salt 2-amino-5-(4-bromo-phen-yl)-1,3,4-thia-diazol-3-ium 2-carb-oxy-4,6-di-nitro-phenolate. Acta Crystallogr Sect E Struct Rep Online. 2014 Oct 4;70(Pt 11):294-7. doi: 10.1107/S1600536814021138. eCollection 2014 Nov 1. PubMed PMID: 25484726; PubMed Central PMCID: PMC4257302.

11: Zhang X, Sun G, Hinrichs K, Janietz S, Rappich J. Infrared spectroscopic study of the amidation reaction of aminophenyl modified Au surfaces and p-nitrobenzoic acid as model system. Phys Chem Chem Phys. 2010 Oct 21;12(39):12427-9. doi: 10.1039/c0cp00058b. Epub 2010 Aug 25. PubMed PMID: 20737098.

12: Koçyiğit-Kaymakçioğlu B, Unsalan S, Küçükgüzel SG, Sener G, Rollas S. HPLC analysis of in vivo metabolites of 4-nitrobenzoic acid [(5-nitro-2-thiopheneyl)methylene]hydrazide in rats. Eur J Drug Metab Pharmacokinet. 2007 Oct-Dec;32(4):197-203. PubMed PMID: 18348468.

13: Bielak E, Biliński S. [Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. II. 4-Phenyl- and 4-(p-tolyl)-thiosemicarbazide of p-nitrobenzoic acid]. Ann Univ Mariae Curie Sklodowska Med. 1990;45:123-9. Polish. PubMed PMID: 1670014.

14: Wu LZ, Pan MY, Liu X, Zhou HM, Wu XY, Luo CM. [A study on the drug resistance to p-nitrobenzoic acid in Mycobacterium tuberculosis]. Zhonghua Jie He He Hu Xi Za Zhi. 2011 Feb;34(2):117-9. Chinese. PubMed PMID: 21426730.

15: Chanco E, Choi YS, Sun N, Vu M, Zhao H. Characterization of the N-oxygenase AurF from Streptomyces thioletus. Bioorg Med Chem. 2014 Oct 15;22(20):5569-77. doi: 10.1016/j.bmc.2014.06.002. Epub 2014 Jun 12. PubMed PMID: 24973817.

16: Bielak E, Biliński S. [Reactions of 1-(X-benzoyl)-4-R-thiosemicarbazide with chloroacetone and omega-bromoacetophenone. III. 4-Phenyl- and 4-(p-tolyl)- thiosemicarbazide of 0-nitrobenzoic acid]. Ann Univ Mariae Curie Sklodowska Med. 1990;45:131-9. Polish. PubMed PMID: 1670015.

17: Samsonowicz M, Regulska E, Świsłocka R, Lewandowski W. Experimental and theoretical study of molecular structure of beryllium, magnesium, calcium, strontium and barium 4-nitrobenzoates. Spectrochim Acta A Mol Biomol Spectrosc. 2013 Feb 15;103:456-66. doi: 10.1016/j.saa.2012.11.073. Epub 2012 Dec 5. PubMed PMID: 23261035.

18: Quinzii CM, Tadesse S, Naini A, Hirano M. Effects of inhibiting CoQ10 biosynthesis with 4-nitrobenzoate in human fibroblasts. PLoS One. 2012;7(2):e30606. doi: 10.1371/journal.pone.0030606. Epub 2012 Feb 16. PubMed PMID: 22359546; PubMed Central PMCID: PMC3281033.

19: Fan Z, Diao CH, Guo MJ, Du RJ, Song YF, Jing ZL, Yu M. An investigation of the inclusion complex of beta-cyclodextrin with p-nitrobenzoic acid in the solid state. Carbohydr Res. 2007 Nov 26;342(16):2500-3. Epub 2007 Jul 18. PubMed PMID: 17669379.

20: Giampaglia CM, Martins MC, Inumaru VT, Butuem IV, Telles MA. Evaluation of a rapid differentiation test for the Mycobacterium tuberculosis complex by selective inhibition with rho-nitrobenzoic acid and thiophene-2-carboxylic acid hydrazide. Int J Tuberc Lung Dis. 2005 Feb;9(2):206-9. PubMed PMID: 15732742.