34171
Dibromoacetic acid
purum, ≥97.0% (HPLC)
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About This Item
Linear Formula:
Br2CHCOOH
CAS Number:
Molecular Weight:
217.84
EC Number:
211-165-5
UNSPSC Code:
12352106
PubChem Substance ID:
Beilstein/REAXYS Number:
1700457
MDL number:
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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signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - 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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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