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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:36693 - 1,3-dichlorobenzene
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ChEBI Ontology
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ChEBI Name
1,3-dichlorobenzene
ChEBI ID
CHEBI:36693
Definition
A dichlorobenzene carrying chloro substituents at positions 1 and 3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H4Cl2
Net Charge
0
Average Mass
147.00136
Monoisotopic Mass
145.96901
InChI
InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H
InChIKey
ZPQOPVIELGIULI-UHFFFAOYSA-N
SMILES
Clc1cccc(Cl)c1
ChEBI Ontology
Outgoing
1,3-dichlorobenzene (
CHEBI:36693
)
is a
dichlorobenzene (
CHEBI:23697
)
Incoming
spirodiclofen (
CHEBI:38639
)
has functional parent
1,3-dichlorobenzene (
CHEBI:36693
)
IUPAC Name
1,3-dichlorobenzene
Synonyms
Sources
m
-dichlorobenzene
NIST Chemistry WebBook
m
-phenylene dichloride
NIST Chemistry WebBook
meta-Dichlorobenzene
KEGG COMPOUND
meta
-dichlorobenzene
ChemIDplus
metadichlorobenzene
NIST Chemistry WebBook
Manual Xrefs
Databases
C19397
KEGG COMPOUND
HMDB0059855
HMDB
View more database links
Registry Numbers
Types
Sources
142106
Gmelin Registry Number
Gmelin
541-73-1
CAS Registry Number
KEGG COMPOUND
541-73-1
CAS Registry Number
ChemIDplus
541-73-1
CAS Registry Number
NIST Chemistry WebBook
956618
Reaxys Registry Number
Reaxys
Citations
Types
Sources
1352205
PubMed citation
Europe PMC
22283148
PubMed citation
Europe PMC
3952733
PubMed citation
Europe PMC
4035682
PubMed citation
Europe PMC
6470924
PubMed citation
Europe PMC
Last Modified
28 July 2014