CHLOROACETONE

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 Search

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

Title	Date	PubMed
Structure of hydroxynitrile lyase from Manihot esculenta in complex with substrates acetone and chloroacetone: implications for the mechanism of cyanogenesis.	2001 Feb	11173464
Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part 2).	2003 Apr	12806830
Synthesis of some new pyrimidine and fused pyrimidine derivatives (Part I).	2003 Mar-Apr	12705094
Pharmaco-economical analysis of the treatment with antibiotics in a surgery department.	2003 May	12918223
Phosphoenolpyruvate- and ATP-dependent dihydroxyacetone kinases: covalent substrate-binding and kinetic mechanism.	2004 Oct 19	15476397
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	15787541
On the photolysis of simple anions and neutral molecules as sources of O-/OH, SO(x)- and Cl in aqueous solution.	2007 Aug 14	17646883
A theoretical study of Favorskii reaction stereochemistry. Lessons in torquoselectivity.	2007 Oct 12	17887797
One-pot solvent free synthesis and DNA binding studies of thieno[2,3-b]-1,8-naphthyridines.	2008	18080916
Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCl(n) (n = 0-3) with the chlorine atom.	2008 Apr 15	17894372
Synthesis, anti-inflammatory, analgesic and antioxidant activities of some tetrasubstituted thiophenes.	2008 Dec	18618323
Atropisomerism in the 2-arylimino-N-(2-hydroxyphenyl)thiazoline series: influence of hydrogen bonding on the racemization process.	2008 Jan 18	18088138
A concise synthesis of (+/-)-cacalol.	2008 Jul 4	18507439
Methyl 2-acetonyl-4-hydr-oxy-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.	2008 Jul 5	21203112
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	19256550
N-acetonylsaccharin.	2009 Aug 19	21577589
Synthesis and molluscicidal activity of some new thiophene, thiadiazole and pyrazole derivatives.	2009 Mar	18930566
3-Hydr-oxy-5,5-dimethyl-2-(2-oxo-propyl)cyclo-hex-2-enone.	2009 Nov 25	21578898
Cu(II)-catalyzed THM formation during water chlorination and monochloramination: a comparison study.	2009 Oct 15	19520506
Preparation and properties of novel double-chain nonionic surfactants with acid decomposition function.	2010	20513972
3-Methyl-1H-pyrrolo[2,1-c][1,4]oxazin-1-one.	2010 Feb 27	21580449
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	20527864

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:25:52 UTC 2023` Edited by `admin` on `Fri Dec 15 18:25:52 UTC 2023`
Record UNII	60ZTR74268
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROACETONE

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