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pentabromoacetone

pentabromoacetone structure

CAS No:
79-49-2
Formula:
Br3CCOCHBr2
Chemical Name:
pentabromoacetone
Synonyms:
pentabromoacetone;UNII-FL257I110Y;1,1,1,3,3-pentabromopropan-2-one;FL257I110Y;2-Propanone, 1,1,1,3,3-pentabromo-;Pentabromaceton;Propanone, pentabromo-;SCHEMBL2810915;CTK2H9485

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pentabromoacetone Basic Attributes

Molecular Weight：

452.56

Exact Mass：

447.59400

UNII：

FL257I110Y

DSSTox ID：

DTXSID10229487

Characteristics

PSA：

17.1

XLogP3：

3.50990

Density：

3.198g/cm3

Melting Point：

76° (sublimes above mp)

Boiling Point：

335.8ºC at 760 mmHg

Flash Point：

123.5ºC

Refractive Index：

1.697

Drug Information

MeSH Entry Terms：

pentabromoacetone

Computed Properties

Molecular Weight:452.56
XLogP3:4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:451.59033
Monoisotopic Mass:447.59443
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of pentabromoacetone

Basic Attributes
Characteristics
Drug Information
Computed Properties

pentabromoacetone

SDS

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