Home Halogens Trichloroacetonitrile

Trichloroacetonitrile

CAS No.:
545-06-2
Catalog Number:
AG0035QB
Molecular Formula:
C2Cl3N
Molecular Weight:
144.3871
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
30g
98%(GC)
In Stock USA
United States
$54
- +
Product Description
Catalog Number:
AG0035QB
Chemical Name:
Trichloroacetonitrile
CAS Number:
545-06-2
Molecular Formula:
C2Cl3N
Molecular Weight:
144.3871
MDL Number:
MFCD00001842
IUPAC Name:
2,2,2-trichloroacetonitrile
InChI:
InChI=1S/C2Cl3N/c3-2(4,5)1-6
InChI Key:
DRUIESSIVFYOMK-UHFFFAOYSA-N
SMILES:
N#CC(Cl)(Cl)Cl
EC Number:
208-885-7
UNII:
6397DL8869
NSC Number:
66405
UN Number:
3276
Properties
Complexity:
82.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.91g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.379g/mol
Monoisotopic Mass:
142.91g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Effects of temperature, surfactants and skin location on the dermal penetration of haloacetonitriles and chloral hydrate. Journal of exposure science & environmental epidemiology 20120701
Formation of halogenated C-, N-DBPs from chlor(am)ination and UV irradiation of tyrosine in drinking water. Environmental pollution (Barking, Essex : 1987) 20120201
Reference molecules for nonlinear optics: a joint experimental and theoretical investigation. The Journal of chemical physics 20120114
4-Methyl-N'-(2,2,2-trichloro-ethanimido-yl)benzene-1-carboximidamide. Acta crystallographica. Section E, Structure reports online 20111201
Radioactive phosphorylation of alcohols to monitor biocatalytic Diels-Alder reactions. PloS one 20110101
Expanding stereochemical and skeletal diversity using petasis reactions and 1,3-dipolar cycloadditions. Organic letters 20101119
Catalytic asymmetric synthesis of chiral allylic esters. Journal of the American Chemical Society 20101103
Production of various disinfection byproducts in indoor swimming pool waters treated with different disinfection methods. International journal of hygiene and environmental health 20101101
First principles insight into the alpha-glucan structures of starch: their synthesis, conformation, and hydration. Chemical reviews 20100414
Rearrangement strategy for the synthesis of 2-aminoanilines. Organic letters 20100402
Chlorination disinfection by-products in drinking water and congenital anomalies: review and meta-analyses. Environmental health perspectives 20091001
(Z)-2,2,2-Trichloro-N-cyano-acetamidine. Acta crystallographica. Section E, Structure reports online 20090901
Characterization of dissolved organic matter fractions and its relationship with the disinfection by-product formation. Journal of environmental sciences (China) 20090101
Synthesis of 5-substituted 3-amino-1H-pyrazole-4-carbonitriles as precursors for microwave assisted regiospecific syntheses of pyrazolo[1,5-a]pyrimidines. Molecules (Basel, Switzerland) 20081229
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. Carbohydrate research 20070507
Effects of dissolved oxygen and iron aging on the reduction of trichloronitromethane, trichloracetonitrile, and trichloropropanone. Chemosphere 20070201
Haloacetonitriles vs. regulated haloacetic acids: are nitrogen-containing DBPs more toxic? Environmental science & technology 20070115
Experimental and theoretical investigation of the Raman and hyper-Raman spectra of acetonitrile and its derivatives. The Journal of chemical physics 20060628
[NMR study on the determination of structure in the protected glucosamineoside]. Guang pu xue yu guang pu fen xi = Guang pu 20041101
Linear free-energy relationship analysis of the fate of chlorinated 1- and 2-carbon compounds by redox-manipulated smectite clay minerals. Environmental toxicology and chemistry 20031001
Large-scale preparation of the phytoalexin elicitor glucohexatose and its application as a green pesticide. Journal of agricultural and food chemistry 20030212
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. Carbohydrate research 20020107
Transformation of chlorinated aliphatic compounds by ferruginous smectite. Environmental science & technology 20010215
Properties