4-Chloro-3-nitrobenzoic acid

Cat. No.: HY-20559: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

4-Chloro-3-nitrobenzoic acid has oral activity, and oral administration can affect the synthesis activity of liver proteins and the activities of urokinase and histidine kinase.

For research use only. We do not sell to patients.

4-Chloro-3-nitrobenzoic acid Chemical Structure

CAS No. : 96-99-1

Size	Price	Stock	Quantity

Free Sample (0.1 - 0.5 mg)		Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 27	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 27	In-stock	Estimated Time of Arrival: December 31
Solid
100 g	USD 25	Get quote	Estimated Time of Arrival: December 31
> 100 g		Get quote

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Biological Activity
Purity & Documentation
References
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Description

4-Chloro-3-nitrobenzoic acid has oral activity, and oral administration can affect the synthesis activity of liver proteins and the activities of urokinase and histidine kinase^[1]^[2].

Molecular Weight

201.56

Formula

C₇H₄ClNO₄

CAS No.

96-99-1

Appearance

Solid

Color

White to off-white

SMILES

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

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 200 mg/mL (992.26 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	4.9613 mL	24.8065 mL	49.6130 mL
5 mM	0.9923 mL	4.9613 mL	9.9226 mL
10 mM	0.4961 mL	2.4807 mL	4.9613 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (24.81 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 5 mg/mL (24.81 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.31%

Select Batch:

Data Sheet (272 KB) SDS (393 KB)

COA (249 KB) HNMR (122 KB) RP-HPLC (95 KB)

Handling Instructions (2659 KB)

References

[1]. Thompson AJ, et al. The mechanism of bending in co-crystals of caffeine and 4-chloro-3-nitrobenzoic acid. Nat Commun. 2021 Oct 20;12(1):5983. [Content Brief]

[2]. D'eng B, et al. Otsenka gepatotoksicheskogo deĭstviia nekotorykh khlor- nitroproizvodnykh benzoĭnoĭ kisloty [Evaluation of the hepatotoxic activity of several chlor-nitro derivatives of benzoic acid]. Vopr Med Khim. 1983 Nov-Dec;29(6):113-7. Russian. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	4.9613 mL	24.8065 mL	49.6130 mL	124.0325 mL
	5 mM	0.9923 mL	4.9613 mL	9.9226 mL	24.8065 mL
	10 mM	0.4961 mL	2.4807 mL	4.9613 mL	12.4033 mL
	15 mM	0.3308 mL	1.6538 mL	3.3075 mL	8.2688 mL
	20 mM	0.2481 mL	1.2403 mL	2.4807 mL	6.2016 mL
	25 mM	0.1985 mL	0.9923 mL	1.9845 mL	4.9613 mL
	30 mM	0.1654 mL	0.8269 mL	1.6538 mL	4.1344 mL
	40 mM	0.1240 mL	0.6202 mL	1.2403 mL	3.1008 mL
	50 mM	0.0992 mL	0.4961 mL	0.9923 mL	2.4807 mL
	60 mM	0.0827 mL	0.4134 mL	0.8269 mL	2.0672 mL
	80 mM	0.0620 mL	0.3101 mL	0.6202 mL	1.5504 mL
	100 mM	0.0496 mL	0.2481 mL	0.4961 mL	1.2403 mL