Dibromoacetic acid

Cat. No.: HY-23399 Purity: 98.04%: FAQs
Data Sheet SDS COA Handling Instructions

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Dibromoacetic acid, a haloacetic acid found in drinking water as a disinfection by-product, can cause many adverse effects, including immunotoxicity and apoptosis.

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

Dibromoacetic acid Chemical Structure

CAS No. : 631-64-1

Size	Price	Stock	Quantity
100 mg	USD 50	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

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Biological Activity
Purity & Documentation
References
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Description

Dibromoacetic acid, a haloacetic acid found in drinking water as a disinfection by-product, can cause many adverse effects, including immunotoxicity and apoptosis^[1].

In Vitro

Exposure to DBAA (5-40 μM) leads to significant reduction in thymocyte proliferation in vitro^[1].
DBAA (5-40 μM; for 24 hours) treatment induced cell cycle arrest. The data showed at least 40% increase in the G₀/G₁ phase and 50% decrease in the S phase in thymocytes treated with different concentrations of DBAA^[1].
DBAA (5-40 μM; for 24 hours) decreases the expression of Bcl-2 and increases the expression of Fas/FasL^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Cell Proliferation Assay^[1]

Cell Line:	Thymocytes from BALB/c mice
Concentration:	0, 5, 10, 20, and 40 μM
Incubation Time:	6, 12, 24, 48, and 72 hours
Result:	Led to a significantly decreased cell proliferative response to T-cell mitogen for 6 hr or longer. At 6 hr, significant inhibition was observed only at 40 μM, and significant inhibition was observed for all concentrations at 24, 48, and 72 hr.

Western Blot Analysis^[1]

Cell Line:	Thymocytes
Concentration:	0, 5, 10, 20, and 40 μM
Incubation Time:	24 hours
Result:	The expression of Fas/FasL increased significantly from 10 μM, and the expression of Bcl-2 decreased at all concentration.

In Vivo

There is some evidence of carcinogenic activity of Dibromoacetic acid in male rats based on an increased incidence of malignant mesothelioma. The increased incidences of mononuclear cell leukemia in male rats may have been related to Dibromoacetic acid exposure^[2].
There is some evidence of carcinogenic activity of Dibromoacetic acid in female rats based on an increased incidence and positive trend of mononuclear cell leukemia^[2].
There is clear evidence of carcinogenic activity of Dibromoacetic acid in male and female mice based on increased incidences of hepatocellular neoplasms and hepatoblastoma (males only). Increased incidences of lung neoplasms in male mice were also considered to be exposure related^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:	Male and female F344/N rats and B6C3F1 mice^[2]
Dosage:	Groups of five male and five female rats/mice were exposed to 0, 125, 250, 500, 1,000, or 2,000 mg/L Dibromoacetic acid in drinking water for 2 weeks Groups of 10 male and 10 female rats/mice were exposed to 0, 125, 250, 500, 1,000, or 2,000 mg/L Dibromoacetic acid in drinking water for 3 months Groups of 50 male and 50 female rats/mice were exposed to drinking water containing 0, 50, 500, and 1,000 mg/L Dibromoacetic acid for 2 years
Administration:	Exposed to Dibromoacetic acid (greater than 99% pure) in drinking water for 2 weeks, 3 months, or 2 years.
Result:	Exposure to Dibromoacetic acid for 2 years caused increased incidences of cystic degeneration of the liver in male rats, increased incidences of alveolar epithelial hyperplasia and nephropathy in female rats, and increased incidences of splenic hematopoiesis in male mice.

Molecular Weight

217.84

Formula

C₂H₂Br₂O₂

CAS No.

631-64-1

Appearance

Solid

Color

White to off-white

SMILES

O=C(O)C(Br)Br

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 : 100 mg/mL (459.05 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	4.5905 mL	22.9526 mL	45.9053 mL
5 mM	0.9181 mL	4.5905 mL	9.1811 mL
10 mM	0.4591 mL	2.2953 mL	4.5905 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.

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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: 2.5 mg/mL (11.48 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 2.5 mg/mL.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 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: ≥ 2.5 mg/mL (11.48 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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: 99.59%

Select Batch:

Data Sheet (276 KB) SDS (614 KB)

COA (247 KB) HNMR (228 KB) RP-HPLC (208 KB)

Handling Instructions (2659 KB)

References

[1]. Shu-Ying Gao, et al. Dibromoacetic Acid Induces Thymocyte Apoptosis by Blocking Cell Cycle Progression, Increasing Intracellular Calcium, and the Fas/FasL Pathway in Vitro.Toxicol Pathol. 2016 Jan;44(1):88-97. [Content Brief]

[2]. National Toxicology Program. Toxicology and carcinogenesis studies of dibromoacetic acid (Cas No. 631-64-1) in F344/N rats and B6C3F1 mice (drinking water studies). Natl Toxicol Program Tech Rep Ser. 2007 Apr;(537):1-320. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	4.5905 mL	22.9526 mL	45.9053 mL	114.7631 mL
	5 mM	0.9181 mL	4.5905 mL	9.1811 mL	22.9526 mL
	10 mM	0.4591 mL	2.2953 mL	4.5905 mL	11.4763 mL
	15 mM	0.3060 mL	1.5302 mL	3.0604 mL	7.6509 mL
	20 mM	0.2295 mL	1.1476 mL	2.2953 mL	5.7382 mL
	25 mM	0.1836 mL	0.9181 mL	1.8362 mL	4.5905 mL
	30 mM	0.1530 mL	0.7651 mL	1.5302 mL	3.8254 mL
	40 mM	0.1148 mL	0.5738 mL	1.1476 mL	2.8691 mL
	50 mM	0.0918 mL	0.4591 mL	0.9181 mL	2.2953 mL
	60 mM	0.0765 mL	0.3825 mL	0.7651 mL	1.9127 mL
	80 mM	0.0574 mL	0.2869 mL	0.5738 mL	1.4345 mL
	100 mM	0.0459 mL	0.2295 mL	0.4591 mL	1.1476 mL