Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:82541 - Trichloroacetonitrile
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Trichloroacetonitrile
ChEBI ID
CHEBI:82541
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C2Cl3N
Net Charge
0
Average Mass
144.38700
Monoisotopic Mass
142.90963
InChI
InChI=1S/C2Cl3N/c3-2(4,5)1-6
InChIKey
DRUIESSIVFYOMK-UHFFFAOYSA-N
SMILES
ClC(Cl)(Cl)C#N
ChEBI Ontology
Outgoing
Trichloroacetonitrile (
CHEBI:82541
)
is a
aliphatic nitrile (
CHEBI:80291
)
Trichloroacetonitrile (
CHEBI:82541
)
is a
organochlorine compound (
CHEBI:36683
)
Synonym
Source
2,2,2-Trichloro-acetonitrile
KEGG COMPOUND
Manual Xref
Database
C19535
KEGG COMPOUND
View more database links
Registry Number
Type
Source
545-06-2
CAS Registry Number
KEGG COMPOUND
Last Modified
01 May 2015