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:37151 - 1,3-dibromobenzene
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1,3-dibromobenzene
ChEBI ID
CHEBI:37151
Definition
A dibromobenzene carrying bromo groups at positions 1 and 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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
C6H4Br2
Net Charge
0
Average Mass
235.90396
Monoisotopic Mass
233.86798
InChI
InChI=1S/C6H4Br2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
JSRLURSZEMLAFO-UHFFFAOYSA-N
SMILES
Brc1cccc(Br)c1
ChEBI Ontology
Outgoing
1,3-dibromobenzene (
CHEBI:37151
)
is a
dibromobenzene (
CHEBI:37147
)
Incoming
2,6-dibromophenol (
CHEBI:19391
)
has functional parent
1,3-dibromobenzene (
CHEBI:37151
)
IUPAC Name
1,3-dibromobenzene
Synonym
Source
m
-dibromobenzene
NIST Chemistry WebBook
Registry Numbers
Types
Sources
108-36-1
CAS Registry Number
ChemIDplus
108-36-1
CAS Registry Number
NIST Chemistry WebBook
1904538
Reaxys Registry Number
Reaxys
363342
Gmelin Registry Number
Gmelin
Citations
Types
Sources
15267540
PubMed citation
Europe PMC
17935095
PubMed citation
Europe PMC
18624286
PubMed citation
Europe PMC
Last Modified
24 March 2014