4-Nitrobenzoic acid | CAS#62-23-7 | intermediate

MedKoo Cat#: 558659 | Name: 4-Nitrobenzoic acid

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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

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: 167.0200

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
100g	USD 250.00	2 Weeks

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Related CAS #

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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

More Info

Instruction

View handling instruction

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.

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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[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. 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