chloropicrin

CHEBI:39285 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A C-nitro compound that is nitromethane in which all three hydrogens are replaced by chlorines. It is a severe irritant, and can cause immediate, severe inflammation of the eyes, nose and throat, and significant injuries to the upper and lower respiratory tract. Formerly stockpiled as a chemical warfare agent, it has been widely used in the US as a soil fumigant, particularly for strawberry crops. It is not approved for use within the European Union. — 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:35716 CHEBI:35716
CHEBI:36683 CHEBI:36683
CHEBI:64708 CHEBI:64708

Chemical structure

Computed structure properties
Molecular formula	CCl3NO2
Charge	0
Average mass	164.375 Da
Monoisotopic mass	162.89946 Da
Source	ChEBI
InChIKey	LFHISGNCFUNFFM-UHFFFAOYSA-N

SMILES

O=[N+]([O-])C(Cl)(Cl)Cl

InChI

InChI=1S/CCl3NO2/c2-1(3,4)5(6)7

Also called

trichloro(nitro)methane (EXACT_SYNONYM)— chebi
1,1,1-trichloronitromethane (EXACT_SYNONYM)— chebi
CCl3NO2 (EXACT_SYNONYM)— chebi
Chlorpikrin (EXACT_SYNONYM)— chebi
Cl3CNO2 (EXACT_SYNONYM)— chebi
Trichlornitromethan (EXACT_SYNONYM)— chebi
trichloronitromethane (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:76-06-2
gmelin:240197
kegg.compound:C18445
pesticides:chloropicrin
ppdb:148
reaxys:1756135
wikipedia.en:Chloropicrin

Activity roles

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

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:39285`	chloropicrin	`antibioticmech:chebi-a8fb1855c8`	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.