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545-06-2,MFCD00001842
Catalog No.:AA0035NJ

545-06-2 | Trichloroacetonitrile

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25g
>98.0%(GC)
in stock  
$21.00   $15.00
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100g
>98.0%(GC)
in stock  
$46.00   $32.00
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500g
>98.0%(GC)
in stock  
$158.00   $111.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0035NJ
Chemical Name:
Trichloroacetonitrile
CAS Number:
545-06-2
Molecular Formula:
C2Cl3N
Molecular Weight:
144.3871
MDL Number:
MFCD00001842
SMILES:
N#CC(Cl)(Cl)Cl
NSC Number:
66405
UN Number:
3276
Properties
Properties
 
BP:
85.7°C  
Form:
Liquid  
MP:
-42 °C  
Refractive Index:
n20/D 1.441(lit.)  
Stability:
Lachrymatory  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
82.7  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
XLogP3:
2.1  

Literature

Title: Effects of temperature, surfactants and skin location on the dermal penetration of haloacetonitriles and chloral hydrate.

Journal: Journal of exposure science & environmental epidemiology 20120701

Title: Formation of halogenated C-, N-DBPs from chlor(am)ination and UV irradiation of tyrosine in drinking water.

Journal: Environmental pollution (Barking, Essex : 1987) 20120201

Title: Reference molecules for nonlinear optics: a joint experimental and theoretical investigation.

Journal: The Journal of chemical physics 20120114

Title: 4-Methyl-N'-(2,2,2-trichloro-ethanimido-yl)benzene-1-carboximidamide.

Journal: Acta crystallographica. Section E, Structure reports online 20111201

Title: Radioactive phosphorylation of alcohols to monitor biocatalytic Diels-Alder reactions.

Journal: PloS one 20110101

Title: Expanding stereochemical and skeletal diversity using petasis reactions and 1,3-dipolar cycloadditions.

Journal: Organic letters 20101119

Title: Catalytic asymmetric synthesis of chiral allylic esters.

Journal: Journal of the American Chemical Society 20101103

Title: Production of various disinfection byproducts in indoor swimming pool waters treated with different disinfection methods.

Journal: International journal of hygiene and environmental health 20101101

Title: First principles insight into the alpha-glucan structures of starch: their synthesis, conformation, and hydration.

Journal: Chemical reviews 20100414

Title: Rearrangement strategy for the synthesis of 2-aminoanilines.

Journal: Organic letters 20100402

Title: Chlorination disinfection by-products in drinking water and congenital anomalies: review and meta-analyses.

Journal: Environmental health perspectives 20091001

Title: (Z)-2,2,2-Trichloro-N-cyano-acetamidine.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Characterization of dissolved organic matter fractions and its relationship with the disinfection by-product formation.

Journal: Journal of environmental sciences (China) 20090101

Title: Synthesis of 5-substituted 3-amino-1H-pyrazole-4-carbonitriles as precursors for microwave assisted regiospecific syntheses of pyrazolo[1,5-a]pyrimidines.

Journal: Molecules (Basel, Switzerland) 20081229

Title: Regio- and stereoselective anomeric esterification of glucopyranose 1,2-diols and a facile preparation of 2-O-acetylated glucopyranosyl trichloroacetimidates from the corresponding 1,2-diols.

Journal: Carbohydrate research 20070507

Title: Effects of dissolved oxygen and iron aging on the reduction of trichloronitromethane, trichloracetonitrile, and trichloropropanone.

Journal: Chemosphere 20070201

Title: Haloacetonitriles vs. regulated haloacetic acids: are nitrogen-containing DBPs more toxic?

Journal: Environmental science & technology 20070115

Title: Experimental and theoretical investigation of the Raman and hyper-Raman spectra of acetonitrile and its derivatives.

Journal: The Journal of chemical physics 20060628

Title: [NMR study on the determination of structure in the protected glucosamineoside].

Journal: Guang pu xue yu guang pu fen xi = Guang pu 20041101

Title: Linear free-energy relationship analysis of the fate of chlorinated 1- and 2-carbon compounds by redox-manipulated smectite clay minerals.

Journal: Environmental toxicology and chemistry 20031001

Title: Large-scale preparation of the phytoalexin elicitor glucohexatose and its application as a green pesticide.

Journal: Journal of agricultural and food chemistry 20030212

Title: Synthesis of alpha-lactosyl-(1-->3)-L-glycero-alpha-D-manno-heptopyranoside, a partial oligosaccharide structure expressed within the lipooligosaccharide produced by Neisseria gonorrhoeae strain 15253.

Journal: Carbohydrate research 20020107

Title: Transformation of chlorinated aliphatic compounds by ferruginous smectite.

Journal: Environmental science & technology 20010215

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