U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Molecular Formula C3Cl3NO2
Molecular Weight 188.397
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Spiro-fused (C2)-azirino-(C4)-pyrazolones, a new heterocyclic system. Synthesis, spectroscopic studies and X-ray structure analysis.
2003 Oct 17
Glycosyl trichloroacetylcarbamate: a new glycosyl donor for O-glycosylation.
2005 Dec 12
Determination of the hydroxy and carboxylic acid groups in natural complex mixtures of hydroxy fatty acids by 1H nuclear magnetic resonance spectroscopy.
2009 Aug
Improved catalytic and stereoselective glycosylation with glycosyl N-trichloroacetylcarbamate: application to various 1-hydroxy sugars.
2010 Apr 19
Preparation of primary amides from functionalized organozinc halides.
2010 Aug 20
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:42:52 GMT 2023
Edited
by admin
on Fri Dec 15 19:42:52 GMT 2023
Record UNII
QXV1P5J6JL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRICHLOROACETYL ISOCYANATE
Systematic 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
ACETIC ACID, TRICHLORO-, ANHYDRIDE WITH ISOCYANIC ACID
Common 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 Fri Dec 15 19:42:52 GMT 2023 , Edited by admin on Fri Dec 15 19:42:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID7062790
Created by admin on Fri Dec 15 19:42:52 GMT 2023 , Edited by admin on Fri Dec 15 19:42:52 GMT 2023
PRIMARY
CAS
3019-71-4
Created by admin on Fri Dec 15 19:42:52 GMT 2023 , Edited by admin on Fri Dec 15 19:42:52 GMT 2023
PRIMARY
PUBCHEM
76400
Created by admin on Fri Dec 15 19:42:52 GMT 2023 , Edited by admin on Fri Dec 15 19:42:52 GMT 2023
PRIMARY
FDA UNII
QXV1P5J6JL
Created by admin on Fri Dec 15 19:42:52 GMT 2023 , Edited by admin on Fri Dec 15 19:42:52 GMT 2023
PRIMARY