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Merck
CN

442551

Dibromoacetic acid

analytical standard

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About This Item

Linear Formula:
Br2CHCOOH
CAS Number:
631-64-1
Molecular Weight:
217.84
EC Number:
211-165-5
UNSPSC Code:
12352200
PubChem Substance ID:
24867905
Beilstein/REAXYS Number:
1700457
MDL number:
MFCD00004205
NACRES:
NA.24

Key Documents

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InChI key

SIEILFNCEFEENQ-UHFFFAOYSA-N

InChI

1S/C2H2Br2O2/c3-1(4)2(5)6/h1H,(H,5,6)

SMILES string

OC(=O)C(Br)Br

grade

analytical standard

CofA

current certificate can be downloaded

packaging

ampule of 1000 mg

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

128-130 °C/16 mmHg (lit.)

Quality Level

100

density

2.382 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

storage temp.

2-30°C

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Related Categories

General description

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

Application

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.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
LRAE1446
LRAD3889
LRAD2120
LC18661V
LC12960V

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Applications of ion chromatography with electrospray mass spectrometric detection to the determination of environmental contaminants in water.
Roehl R, et al.
Journal of Chromatography A, 956(1-2), 245-254 (2002)
Determination of haloacetic acids in aqueous environments by solid-phase extraction followed by ion-pair liquid chromatography-electrospray ionization mass spectrometric detection.
Loos R and Barcelo D
Journal of Chromatography A, 938(1-2), 45-55 (2001)
Determination of haloacetic acids in water by acidic methanol esterification-GC-ECD method.
Nikolaou AD, et al.
Water Research, 36(4), 1089-1094 (2002)
Determination of TOCl, TOBr and TOI in drinking water by pyrolysis and off-line ion chromatography.
Hua G and Reckhow DA
Analytical and Bioanalytical Chemistry, 384(2), 495-504 (2006)
Lianhui Tao et al.
Toxicological sciences : an official journal of the Society of Toxicology, 82(1), 62-69 (2004-09-03)
Dibromoacetic acid (DBA) is a drinking water disinfection by-product. Its analogs, dichloroacetic acid (DCA) and trichloroacetic acid (TCA), are liver carcinogens in rodents. We evaluated the ability of DBA to cause DNA hypomethylation, glycogen accumulation, and peroxisome proliferation that are
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