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Home Halogens 2-Propanone, 1,1,1,3,3,3-hexachloro-

2-Propanone, 1,1,1,3,3,3-hexachloro-

CAS No.:
116-16-5
Catalog Number:
AG000HFI
Molecular Formula:
C3Cl6O
Molecular Weight:
264.7495
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$39
- +
25g
98%(GC)
In Stock USA
United States
$78
- +
100g
98%(GC)
In Stock USA
United States
$194
- +
Product Description
Catalog Number:
AG000HFI
Chemical Name:
2-Propanone, 1,1,1,3,3,3-hexachloro-
CAS Number:
116-16-5
Molecular Formula:
C3Cl6O
Molecular Weight:
264.7495
MDL Number:
MFCD00000796
IUPAC Name:
1,1,1,3,3,3-hexachloropropan-2-one
InChI:
InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9
InChI Key:
DOJXGHGHTWFZHK-UHFFFAOYSA-N
SMILES:
O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
EC Number:
204-129-5
UNII:
RU0LGU279Y
NSC Number:
6852
RTECS Number:
UC2100000
UN Number:
2661
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.805g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.732g/mol
Monoisotopic Mass:
261.808g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Literature
Title Journal
An efficient approach to chiral C8/C9-piperazino-substituted 1,4-benzodiazepin-2-ones as peptidomimetic scaffolds. The Journal of organic chemistry 20081107
Lanthanum aryloxide/pybox-catalyzed direct asymmetric Mannich-type reactions using a trichloromethyl ketone as a propionate equivalent donor. Journal of the American Chemical Society 20070808
Hexachloroacetone as a precursor for a tetrachloro-substituted oxyallyl intermediate: [4+3] cycloaddition to cyclic 1,3-dienes. Molecules (Basel, Switzerland) 20040131
Properties