Home Halogens Trichloroacetyl isocyanate

Trichloroacetyl isocyanate

CAS No.:
3019-71-4
Catalog Number:
AG00I5NZ
Molecular Formula:
C3Cl3NO2
Molecular Weight:
188.3966
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$150
- +
25g
95%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG00I5NZ
Chemical Name:
Trichloroacetyl isocyanate
CAS Number:
3019-71-4
Molecular Formula:
C3Cl3NO2
Molecular Weight:
188.3966
MDL Number:
MFCD00002033
IUPAC Name:
2,2,2-trichloroacetyl isocyanate
InChI:
InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8
InChI Key:
GRNOZCCBOFGDCL-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)C(Cl)(Cl)Cl
EC Number:
221-165-7
UNII:
QXV1P5J6JL
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.899g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.388g/mol
Monoisotopic Mass:
186.899g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Preparation of primary amides from functionalized organozinc halides. Organic letters 20100820
Improved catalytic and stereoselective glycosylation with glycosyl N-trichloroacetylcarbamate: application to various 1-hydroxy sugars. Carbohydrate research 20100419
Determination of the hydroxy and carboxylic acid groups in natural complex mixtures of hydroxy fatty acids by 1H nuclear magnetic resonance spectroscopy. Applied spectroscopy 20090801
Molecular mass estimation of derivatized compounds: a PFG NMR study. Magnetic resonance in chemistry : MRC 20070601
Glycosyl trichloroacetylcarbamate: a new glycosyl donor for O-glycosylation. Carbohydrate research 20051212
Hybrid solution/solid-phase synthesis of oligosaccharides by using trichloroacetyl isocyanate as sequestration-enabling reagent of sugar alcohols. Angewandte Chemie (International ed. in English) 20050304
Spiro-fused (C2)-azirino-(C4)-pyrazolones, a new heterocyclic system. Synthesis, spectroscopic studies and X-ray structure analysis. The Journal of organic chemistry 20031017
(S)-2-chloro-2-fluoroethanoyl isocyanate, a chiral derivative of trichloroacetyl isocyanate. Chirality 20030515
Potential scans and potential energy distributions of normal vibrational modes of trichloroacetyl isocyanate. Journal of molecular modeling 20020201
Properties