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DIBROMOACETIC ACID

Product NameDIBROMOACETIC ACID
CAS631-64-1
MFC2H2Br2O2
MW217.84
EINECS211-165-5
MOL File631-64-1.mol

Chemical Properties

Melting point	32-38 °C (lit.)
Boiling point	128-130 °C/16 mmHg (lit.)
Density	2.382 g/mL at 25 °C (lit.)
refractive index	1.5220 (estimate)
Flash point	>230 °F
storage temp.	room temp
solubility	DMSO : 100 mg/mL (459.05 mM; Need ultrasonic)
form	Solid
pka	pK1:1.39 (25°C)
color	White to off-white
BRN	1700457
Stability	Hygroscopic
IARC	2B (Vol. 101) 2013
EPA Substance Registry System	Dibromoacetic acid (631-64-1)

Safety Information

Hazard Codes	C,Xi,F
Risk Statements	20/21/22-34-40-36/37/38-38-11
Safety Statements	26-36/37/39-45-36-16-24-9
RIDADR	UN 3261 8/PG 2
WGK Germany	3
RTECS	AG5980000
F	3-10-21
TSCA	TSCA listed
HazardClass	8
PackingGroup	II
Hazardous Substances Data	631-64-1(Hazardous Substances Data)

MSDS

Provider	Language
SigmaAldrich	English

Usage And Synthesis

Uses

Dibromoacetic acid (Br₂CHCOOH, CAS Number 631-64-1) may be used as an analytical reference standard for the determination of the analyte in aqueous samples by various chromatographic techniques.

Definition

ChEBI: A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are replaced by bromo groups.

General Description

Dibromoacetic acid belongs to the category of haloacetic acids (HAAs) which are a class of disinfection by-products produced in water.

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].

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.

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