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.

CHEBI:26888 CHEBI:26888
CHEBI:51308 CHEBI:51308
CHEBI:87034 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

Equivalent identifiers for this same structure in other resources.

cas:1897-45-6
kegg.compound:C11037
patent:US3290353
patent:US3652637
pesticides:chlorothalonil
ppdb:150
reaxys:1978326
wikipedia.en:Chlorothalonil

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:86328 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

Provenance

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