U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C3H5ClO
Molecular Weight 92.524
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROACETONE

SMILES

CC(=O)CCl

InChI

InChIKey=BULLHNJGPPOUOX-UHFFFAOYSA-N
InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3

HIDE SMILES / InChI

Molecular Formula C3H5ClO
Molecular Weight 92.524
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis.
2001 Feb
Fluorine-containing heterocycles: synthesis and some reactions of new 3-amino-2-functionalized-6-(2'-thienyl)-4-trifluoromethylthieno [2,3-b]pyridines.
2001 Jan
Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part 2).
2003 Apr
Biodegradation of bis(1-chloro-2-propyl) ether via initial ether scission and subsequent dehalogenation by Rhodococcus sp. strain DTB.
2003 Apr
Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part I).
2003 Mar-Apr
Pharmaco-economical analysis of the treatment with antibiotics in a surgery department.
2003 May
Phosphoenolpyruvate- and ATP-dependent dihydroxyacetone kinases: covalent substrate-binding and kinetic mechanism.
2004 Oct 19
Enantio- and diastereoselective additions to aldehydes using the bifunctional reagent 2-(chloromethyl)-3-(tributylstannyl)propene: application to a synthesis of the C16-C27 segment of bryostatin 1.
2005 Apr 1
13C NMR, infrared, solvation and theoretical investigation of the conformational isomerism in 1-haloacetones (X = Cl, Br and I).
2005 Jul
Preferential attack of the (S)-configured ether-linked carbons in bis-(1-chloro-2-propyl) ether by Rhodococcus sp. strain DTB.
2006 Jan
On the photolysis of simple anions and neutral molecules as sources of O-/OH, SO(x)- and Cl in aqueous solution.
2007 Aug 14
A fluorescence-based screening assay for DNA damage induced by genotoxic industrial chemicals.
2007 Jan
A theoretical study of Favorskii reaction stereochemistry. Lessons in torquoselectivity.
2007 Oct 12
One-pot solvent free synthesis and DNA binding studies of thieno[2,3-b]-1,8-naphthyridines.
2008
Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCl(n) (n = 0-3) with the chlorine atom.
2008 Apr 15
Synthesis, anti-inflammatory, analgesic and antioxidant activities of some tetrasubstituted thiophenes.
2008 Dec
Atropisomerism in the 2-arylimino-N-(2-hydroxyphenyl)thiazoline series: influence of hydrogen bonding on the racemization process.
2008 Jan 18
A concise synthesis of (+/-)-cacalol.
2008 Jul 4
Methyl 2-acetonyl-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.
2008 Jul 5
Substrate binding in the FAD-dependent hydroxynitrile lyase from almond provides insight into the mechanism of cyanohydrin formation and explains the absence of dehydrogenation activity.
2009 Apr 21
N-acetonylsaccharin.
2009 Aug 19
Synthesis and molluscicidal activity of some new thiophene, thiadiazole and pyrazole derivatives.
2009 Mar
3-Hydr-oxy-5,5-dimethyl-2-(2-oxo-propyl)cyclo-hex-2-enone.
2009 Nov 25
Cu(II)-catalyzed THM formation during water chlorination and monochloramination: a comparison study.
2009 Oct 15
Preparation and properties of novel double-chain nonionic surfactants with acid decomposition function.
2010
3-Methyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one.
2010 Feb 27
Kinetics and mechanism of the reaction of methacrolein with chlorine atoms in 1-950 Torr of N2 or N2/O2 diluent at 297 K.
2010 Jul 1
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:25:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:25:52 GMT 2023
Record UNII
60ZTR74268
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROACETONE
MI  
Systematic Name English
NSC-30673
Code English
1-CHLORO-2-PROPANONE
Common Name English
MONOCHLOROACETONE
Systematic Name English
CHLOROACETONE [MI]
Common Name English
1-CHLORO-2-PROPANONE [HSDB]
Common Name English
Code System Code Type Description
HSDB
1070
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
CHEBI
47220
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
WIKIPEDIA
CHLOROACETONE
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
CAS
78-95-5
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
PUBCHEM
6571
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
MERCK INDEX
m3384
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY Merck Index
FDA UNII
60ZTR74268
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
MESH
C006973
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
NSC
30673
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
201-161-1
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID0021547
Created by admin on Fri Dec 15 18:25:52 GMT 2023 , Edited by admin on Fri Dec 15 18:25:52 GMT 2023
PRIMARY