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Merck
CN

34171

Sigma-Aldrich

Dibromoacetic acid

purum, ≥97.0% (HPLC)

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About This Item

Linear Formula:
Br2CHCOOH
CAS Number:
Molecular Weight:
217.84
Beilstein:
1700457
EC Number:
MDL number:
UNSPSC Code:
12352106
PubChem Substance ID:
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grade

purum

Assay

≥97.0% (HPLC)

impurities

≤2% monobromoacetic acid

bp

128-130 °C/16 mmHg (lit.)

mp

32-38 °C (lit.)

density

2.382 g/mL at 25 °C (lit.)

SMILES string

OC(=O)C(Br)Br

InChI

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

InChI key

SIEILFNCEFEENQ-UHFFFAOYSA-N

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Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Certificates of Analysis (COA)

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Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 16(10), 5720-5732 (2008-04-15)
The risk of the presence of haloacetic acids in drinking water as chlorination by-products and the shortage of experimental mutagenicity data for most of them requires a research work. This paper describes a QSAR model to predict direct mutagenicity for

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