chlorothalonil

CHEBI:3639 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:26888
Label unavailable CHEBI:51308
aromatic fungicide CHEBI:87034

Chemical structure

Computed structure properties
Molecular formula	C8Cl4N2
Charge	0
Average mass	265.914 Da
Monoisotopic mass	263.88156 Da
Source	ChEBI
InChIKey	CRQQGFGUEAVUIL-UHFFFAOYSA-N

SMILES

N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl

InChI

InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

Also called

Daconil (BRAND_NAME)— chebi
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile (EXACT_SYNONYM)— chebi
1,3-Dicyanotetrachlorobenzene (EXACT_SYNONYM)— chebi
2,4,5,6-Tetrachloro-3-cyanobenzonitrile (EXACT_SYNONYM)— chebi
Chlorothalonil (EXACT_SYNONYM)— chebi
TPN (EXACT_SYNONYM)— chebi
Tetrachloroisophthalonitrile (EXACT_SYNONYM)— chebi
m-TCPN (EXACT_SYNONYM)— chebi
m-Tetrachlorophthalonitrile (EXACT_SYNONYM)— chebi
meta-TCPN (EXACT_SYNONYM)— chebi
meta-Tetrachlorophthalodinitrile (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

Patents and articles

Documents about this compound. A patent covers a class and an article covers a topic; neither identifies a structure.

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

fungicide CHEBI:24127
antifungal agrochemical CHEBI:86328

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:3639`	chlorothalonil	`antibioticmech:chebi-be5dca20ed`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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