1,1,3,3-Tetrabromoacetone

HCID 608441CAS 22612-89-1

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Basic information

Standard SMILES
O=C(C(Br)Br)C(Br)Br
InChIKey
SAMNBOHOBWEEEU-UHFFFAOYSA-N
Molecular formula
C3H2Br4O
Average molar mass
373.664 g/mol
Monoisotopic mass
369.68391308

Names & identifiers

Preferred name
1,1,3,3-Tetrabromoacetone
IUPAC
1,1,3,3-Tetrabromopropan-2-one
English name
1,1,3,3-Tetrabromoacetone
Molecular formula
C3H2Br4O
Molecular weight
373.66

Names & synonyms

Tetrabromoacetone1,1,3,3-Tetrabromoacetone1,1,3,3-Tetrabromopropanone1,1,3,3-TETRABROMO-2-PROPANONE1,1,3,3-tetrabroMopropan-2-one1,1,3,3-TETRABROMOACETONE 95+%2-Propanone, 1,1,3,3-tetrabromo-alpha,alpha,alpha',alpha'-Tetrabromoacetone

Database identifiers

CAS
22612-89-1
PubChem CID
608441
DTXSID
DTXSID50345973
EC Number
678-413-6
Nikkaji
J209.008B

Properties

Physicochemical properties

Melting point
36 °C · 36°C
Boiling point
129 · 129-130 °C(Press: 7 Torr)
Density
2.904 · 2.904±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform, Dichloromethane, Ethyl Acetate, Methanol
form
Solid

Safety & regulation

Safety data

hs_code
2914.79.4000
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
26-36/37/39
Hazard statements
H302+H312+H332-H315-H319

Chemistry & industry

Applications · 2 items

Description1,1,3,3-Tetrabromoacetone is a good source of the 1,3-dibromooxyallyl cation, a synthetic equivalent of the oxyallyl cation; especially useful for [4 + 3] cycloadditions.

Uses1,1,3,3-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.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Related reactions

1 records

Linked notes

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