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Details

Stereochemistry ACHIRAL
Molecular Formula C3Cl6O
Molecular Weight 264.75
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HEXACHLOROACETONE

SMILES

ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl

InChI

InChIKey=DOJXGHGHTWFZHK-UHFFFAOYSA-N
InChI=1S/C3Cl6O/c4-2(5,6)1(10)3(7,8)9

HIDE SMILES / InChI

Molecular Formula C3Cl6O
Molecular Weight 264.75
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Hexachloroacetone as a precursor for a tetrachloro-substituted oxyallyl intermediate: [4+3] cycloaddition to cyclic 1,3-dienes.
2004 Jan 31
Lanthanum aryloxide/pybox-catalyzed direct asymmetric Mannich-type reactions using a trichloromethyl ketone as a propionate equivalent donor.
2007 Aug 8
An efficient approach to chiral C8/C9-piperazino-substituted 1,4-benzodiazepin-2-ones as peptidomimetic scaffolds.
2008 Nov 7
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 17:53:12 GMT 2023
Edited
by admin
on Fri Dec 15 17:53:12 GMT 2023
Record UNII
RU0LGU279Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HEXACHLOROACETONE
HSDB  
Systematic Name English
HEXACHLOROACETONE [HSDB]
Common Name English
NSC-6852
Code English
1,1,1,3,3,3-HEXACHLORO-2-PROPANONE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 43701
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
Code System Code Type Description
NSC
6852
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
FDA UNII
RU0LGU279Y
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
HSDB
1723
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID7021601
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
CAS
116-16-5
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-129-5
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
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WIKIPEDIA
HEXACHLOROACETONE
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
PUBCHEM
8303
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY
ALANWOOD
hexachloroacetone
Created by admin on Fri Dec 15 17:53:12 GMT 2023 , Edited by admin on Fri Dec 15 17:53:12 GMT 2023
PRIMARY