CHLOROACETONITRILE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C2H2ClN
Molecular Weight	75.497
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

ClCC#N

InChI

InChIKey=RENMDAKOXSCIGH-UHFFFAOYSA-N

InChI=1S/C2H2ClN/c3-1-2-4/h1H2

HIDE SMILES / InChI

Molecular Formula	C2H2ClN
Molecular Weight	75.497
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
Comparative binding energy analysis of the substrate specificity of haloalkane dehalogenase from Xanthobacter autotrophicus GJ10.	2001 Jul 31	11467952
A strategy for the synthesis of aryl alpha-ketoamides based upon the acylation of anions derived from cyanomethylamines followed by oxidative cleavage.	2002 Apr 4	11922793
Synthesis and antimicrobial testing of some new S-substituted-thiopyridines, thienopyridines, pyridothienopyrimidines and pyridothienotriazines.	2003 Jun	12856996
Myeloperoxidase-catalyzed oxidation of chloroacetonitrile to cyanide.	2004 Feb 2	14687762
Synthesis and tuberculostatic activity of some (4-phenylpiperazin-1-ylmethyl)-1,3,4-oxadiazole and (4-phenylpiperazin-1-ylmethyl)-1,2,4-triazole derivatives.	2004 Nov-Dec	15794341
The effect of electron detachment on the structure and properties of the chlorine-acetonitrile anionic complex.	2004 Oct 1	15446921
Role of protonation and of axial ligands in the reductive dechlorination of alkyl chlorides by vitamin B12 complexes. Reductive cleavage of chloroacetonitrile by Co(I) cobalamins and cobinamides.	2005 Apr 13	15810839
Neurological impairment in fetal mouse brain by drinking water disinfectant byproducts.	2005 Aug	16112326
Preparation of (Cyanomethylene)tributylphosphorane: a new mitsunobu-type reagent.	2005 Nov	16272744
Fetal origin of adverse pregnancy outcome: the water disinfectant by-product chloroacetonitrile induces oxidative stress and apoptosis in mouse fetal brain.	2005 Sep 8	16054234
Synthesis of spirocyclic C-arylribosides via cyclotrimerization.	2006 Aug 3	16869661
Double deprotonation of coordinated ethylimide to CH3CN: molecular mechanism and relevance to the chemistry of Mo and W organoimides.	2006 Jul 28	16832487
An mRNA-protein fusion at N-terminus for evolutionary protein engineering.	2007 Aug 29	17848981
Haloacetonitriles vs. regulated haloacetic acids: are nitrogen-containing DBPs more toxic?	2007 Jan 15	17310735
Synthesis of thieno[2,3-d]pyrimidin-2-ylmethanamine combinatorial library with four diversity points.	2007 Jul-Aug	17530808
An easy synthesis of 5-functionally substituted ethyl 4-amino-1-aryl- pyrazolo-3-carboxylates: interesting precursors to sildenafil analogues.	2007 May 1	17470302
Synthesis of spirocyclic C-arylglycosides and -ribosides by ruthenium-catalyzed cycloaddition.	2007 Nov 5	17907128
The hydration of chloroacetonitriles catalyzed by mono- and dinuclear Ru(II)- and Os(II)-arene complexes.	2008 Oct	18972538
(Cyano-meth-yl)triphenyl-phospho-nium chloride.	2008 Oct 31	21581070
Chloroacetonitrile induces intrauterine growth restriction and musculoskeletal toxicity in fetal mouse.	2008 Sep	19039078
A simplified green chemistry approaches to synthesis of 2-substituted 1,2,3-triazoles and 4-amino-5-cyanopyrazole derivatives conventional heating versus microwave and ultrasound as ecofriendly energy sources.	2009 Aug	19345637
One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.	2009 Jan 16	19072237
Synthesis and molluscicidal activity of some new thiophene, thiadiazole and pyrazole derivatives.	2009 Mar	18930566
3-Amino-4,6-dimethyl-thieno[2,3-b]pyridine-2-carbonitrile.	2009 Nov 21	21578859
Chlorination disinfection by-products in drinking water and congenital anomalies: review and meta-analyses.	2009 Oct	20019896
Chloroacetonitrile induces oxidative stress and apoptosis in mouse fetal liver.	2009 Oct 28	19576970
Birch reductive alkylation of biaryls: scope and limitations.	2009 Sep 4	19655764
Synthesis of some novel 2-[2-(aroyl-aroxy)-methyl]-4-phenyl-1,3-thiazoles as potent anti-inflammatory agents.	2010 Apr	20102372
Nitrile functionalized methimazole-based ionic liquids.	2010 Dec 17	21080635
Synthesis of 1-(4-trifluoromethoxyphenyl)-2,5-dimethyl-3-(2-R-thiazol-4-yl)-1H-pyrroles via chain heterocyclization.	2010 Feb 23	20335958
Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties.	2010 May 27	20426423

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:08:56 UTC 2023` Edited by `admin` on `Fri Dec 15 17:08:56 UTC 2023`
Record UNII	CN524K9DXD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROACETONITRILE

Systematic Name

English

CHLOROACETONITRILE [HSDB]

Common Name

English

CHLOROACETONITRILE [IARC]

Common Name

English

NSC-6180

Code

English

Code System Code Type Description

WIKIPEDIA

Chloroacetonitrile