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Details

Stereochemistry ACHIRAL
Molecular Formula C3Cl3NO2
Molecular Weight 188.397
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TRICHLOROACETYL ISOCYANATE

SMILES

ClC(Cl)(Cl)C(=O)N=C=O

InChI

InChIKey=GRNOZCCBOFGDCL-UHFFFAOYSA-N
InChI=1S/C3Cl3NO2/c4-3(5,6)2(9)7-1-8

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Preparation of primary amides from functionalized organozinc halides.
2010-08-20
Improved catalytic and stereoselective glycosylation with glycosyl N-trichloroacetylcarbamate: application to various 1-hydroxy sugars.
2010-04-19
Determination of the hydroxy and carboxylic acid groups in natural complex mixtures of hydroxy fatty acids by 1H nuclear magnetic resonance spectroscopy.
2009-08
Molecular mass estimation of derivatized compounds: a PFG NMR study.
2007-06
Glycosyl trichloroacetylcarbamate: a new glycosyl donor for O-glycosylation.
2005-12-12
Hybrid solution/solid-phase synthesis of oligosaccharides by using trichloroacetyl isocyanate as sequestration-enabling reagent of sugar alcohols.
2005-03-04
Spiro-fused (C2)-azirino-(C4)-pyrazolones, a new heterocyclic system. Synthesis, spectroscopic studies and X-ray structure analysis.
2003-10-17
(S)-2-chloro-2-fluoroethanoyl isocyanate, a chiral derivative of trichloroacetyl isocyanate.
2003-05-15
Potential scans and potential energy distributions of normal vibrational modes of trichloroacetyl isocyanate.
2002-02
Patents
Name Type Language
TRICHLOROACETYL ISOCYANATE
Systematic Name English
ACETIC ACID, TRICHLORO-, ANHYDRIDE WITH ISOCYANIC ACID
Preferred Name English
.ALPHA.,.ALPHA.,.ALPHA.-TRICHLOROACETYL ISOCYANATE
Systematic Name English
2,2,2-TRICHLOROACETYL ISOCYANATE
Systematic Name English
ACETYL ISOCYANATE, 2,2,2-TRICHLORO-
Systematic Name English
ISOCYANIC ACID, ANHYDRIDE WITH TRICHLOROACETIC ACID
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
221-165-7
Created by admin on Mon Mar 31 19:54:33 GMT 2025 , Edited by admin on Mon Mar 31 19:54:33 GMT 2025
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EPA CompTox
DTXSID7062790
Created by admin on Mon Mar 31 19:54:33 GMT 2025 , Edited by admin on Mon Mar 31 19:54:33 GMT 2025
PRIMARY
CAS
3019-71-4
Created by admin on Mon Mar 31 19:54:33 GMT 2025 , Edited by admin on Mon Mar 31 19:54:33 GMT 2025
PRIMARY
PUBCHEM
76400
Created by admin on Mon Mar 31 19:54:33 GMT 2025 , Edited by admin on Mon Mar 31 19:54:33 GMT 2025
PRIMARY
FDA UNII
QXV1P5J6JL
Created by admin on Mon Mar 31 19:54:33 GMT 2025 , Edited by admin on Mon Mar 31 19:54:33 GMT 2025
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