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Details

Stereochemistry ACHIRAL
Molecular Formula C3H4Cl2O
Molecular Weight 126.969
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-DICHLOROACETONE

SMILES

CC(=O)C(Cl)Cl

InChI

InChIKey=CSVFWMMPUJDVKH-UHFFFAOYSA-N
InChI=1S/C3H4Cl2O/c1-2(6)3(4)5/h3H,1H3

HIDE SMILES / InChI

Molecular Formula C3H4Cl2O
Molecular Weight 126.969
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Theoretical investigation of 1,2-interchange of a chlorine atom and methyl group in 1,1-dichloroacetone.
2010-12-23
Formation of carbonaceous and nitrogenous disinfection by-products from the chlorination of Microcystis aeruginosa.
2010-03
Comparison of the disinfection by-product formation potential of treated waters exposed to chlorine and monochloramine.
2010-02
Photodissociation pathways of 1,1-dichloroacetone.
2007-07-12
Factors affecting formation of haloacetonitriles, haloketones, chloropicrin and cyanogen halides during chloramination.
2007-03
Dermal uptake of chloroform and haloketones during bathing.
2005-07
DBP levels in chlorinated drinking water: effect of humic substances.
2004-04-13
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 20:51:39 GMT 2025
Edited
by admin
on Mon Mar 31 20:51:39 GMT 2025
Record UNII
MCU87D3FRT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-DICHLOROACETONE
MI  
Systematic Name English
NSC-42725
Preferred Name English
1,1-DICHLOROACETONE [MI]
Common Name English
2-PROPANONE, 1,1-DICHLORO-
Systematic Name English
1,1-DICHLORO-2-PROPANONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
208-175-7
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY
HSDB
7624
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
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FDA UNII
MCU87D3FRT
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY
CAS
513-88-2
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID7021576
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY
PUBCHEM
10567
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY
NSC
42725
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY
MERCK INDEX
m4330
Created by admin on Mon Mar 31 20:51:39 GMT 2025 , Edited by admin on Mon Mar 31 20:51:39 GMT 2025
PRIMARY Merck Index