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:166846 - 3,5-dichlorobenzoic acid
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
3,5-dichlorobenzoic acid
ChEBI ID
CHEBI:166846
Definition
A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Elad Noor
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
Formula
C7H4Cl2O2
Net Charge
0
Average Mass
191.010
Monoisotopic Mass
189.95883
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey
CXKCZFDUOYMOOP-UHFFFAOYSA-N
SMILES
OC(=O)C1=CC(Cl)=CC(Cl)=C1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application
(s):
herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,5-dichlorobenzoic acid (
CHEBI:166846
)
has functional parent
benzoic acid (
CHEBI:30746
)
3,5-dichlorobenzoic acid (
CHEBI:166846
)
has role
herbicide (
CHEBI:24527
)
3,5-dichlorobenzoic acid (
CHEBI:166846
)
has role
metabolite (
CHEBI:25212
)
3,5-dichlorobenzoic acid (
CHEBI:166846
)
is a
chlorobenzoic acid (
CHEBI:23134
)
3,5-dichlorobenzoic acid (
CHEBI:166846
)
is a
dichlorobenzene (
CHEBI:23697
)
3,5-dichlorobenzoic acid (
CHEBI:166846
)
is conjugate acid of
3,5-dichlorobenzoate (
CHEBI:166847
)
Incoming
3,5-dichlorobenzoate (
CHEBI:166847
)
is conjugate base of
3,5-dichlorobenzoic acid (
CHEBI:166846
)
IUPAC Name
3,5-dichlorobenzoic acid
Synonyms
Sources
3,5-dichloro-benzoic acid
SUBMITTER
benzoic acid, 3,5-dichloro-
ChemIDplus
Manual Xref
Database
5606
ChemSpider
View more database links
Registry Numbers
Types
Sources
2044776
Reaxys Registry Number
Reaxys
51-36-5
CAS Registry Number
ChemIDplus
51-36-5
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
10941675
PubMed citation
Europe PMC
12381207
PubMed citation
Europe PMC
1356741
PubMed citation
Europe PMC
17214997
PubMed citation
Europe PMC
25514054
PubMed citation
Europe PMC
28236176
PubMed citation
Europe PMC
28577396
PubMed citation
Europe PMC
8195093
PubMed citation
Europe PMC
Last Modified
13 November 2020