hexachlorobenzene

CHEBI:5692 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants. — 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:23132 CHEBI:23132
CHEBI:87034 CHEBI:87034

Chemical structure

Computed structure properties
Molecular formula	C6Cl6
Charge	0
Average mass	284.784 Da
Monoisotopic mass	281.81312 Da
Source	ChEBI
InChIKey	CKAPSXZOOQJIBF-UHFFFAOYSA-N

SMILES

Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

InChI

InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9

Also called

1,2,3,4,5,6-hexachlorobenzene (EXACT_SYNONYM)— chebi
HCB (EXACT_SYNONYM)— chebi
Hexachlorbenzol (EXACT_SYNONYM)— chebi
Hexachlorobenzene (EXACT_SYNONYM)— chebi
perchlorobenzene (EXACT_SYNONYM)— chebi
phenyl perchloryl (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:118-74-1
gmelin:27278
hmdb:HMDB0032566
kegg.compound:C11042
ppdb:380
reaxys:1912585
wikipedia.en:Hexachlorobenzene

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:5692`	hexachlorobenzene	`antibioticmech:chebi-a2ed31bd11`	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.