| Identification | Back Directory | [Name]
1,1,3,3-TETRABROMOACETONE | [CAS]
22612-89-1 | [Synonyms]
Tetrabromoacetone
1,1,3,3-TETRABROMOACETONE
1,1,3,3-Tetrabromopropanone
1,1,3,3-TETRABROMO-2-PROPANONE
1,1,3,3-TETRABROMOACETONE 95+%
1,1,3,3-tetrabroMopropan-2-one
alpha,alpha,alpha',alpha'-Tetrabromoacetone | [Molecular Formula]
C3H2Br4O | [MDL Number]
MFCD00059470 | [MOL File]
22612-89-1.mol | [Molecular Weight]
373.66 |
| Chemical Properties | Back Directory | [Melting point ]
36°C | [Boiling point ]
129-130 °C(Press: 7 Torr) | [density ]
2.904±0.06 g/cm3(Predicted) | [storage temp. ]
Refrigerator | [solubility ]
Chloroform, Dichloromethane, Ethyl Acetate, Methanol | [form ]
Solid | [color ]
White Low Melting | [Stability:]
Temperature Sensitive | [InChI]
InChI=1S/C3H2Br4O/c4-2(5)1(8)3(6)7/h2-3H | [InChIKey]
SAMNBOHOBWEEEU-UHFFFAOYSA-N | [SMILES]
C(Br)(Br)C(=O)C(Br)Br |
| Hazard Information | Back Directory | [Description]
1,1,3,3-Tetrabromoacetone is a good source of the 1,3-dibromooxyallyl cation, a synthetic equivalent of the oxyallyl cation; especially useful for [4 + 3] cycloadditions. | [Uses]
1,1,3,3-Tetrabromoacetone is an intermediate in the synthesis of 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone-13C5, which is an isotope labelled Mutagen X (MX) is a chlorinated furanone that accounts for more of the mutagenic activity of drinking water than any other disinfection byproduct. DNA damages provoked by the six mutagens (furylframide, MX, 4-nitroquinoline N-oxide, sodium azide, 1-nitropyrene, and captan) used in the present study have been known to subject to the nucleotide excision repair system. | [storage]
powerful lachrymator; use in a fume hood. If contact with the skin occurs the affected area
should be thoroughly washed with soap followed by a solution of sodium bicarbonate. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,1,3,3-TETRABROMOACETONE(22612-89-1)MS
1,1,3,3-TETRABROMOACETONE(22612-89-1)1HNMR
1,1,3,3-TETRABROMOACETONE(22612-89-1)13CNMR
1,1,3,3-TETRABROMOACETONE(22612-89-1)IR1
1,1,3,3-TETRABROMOACETONE(22612-89-1)IR2
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