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.

Label unavailable CHEBI:35716
Label unavailable CHEBI:36683
Label unavailable 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

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.

wikipedia.en:Chloropicrin

Activity roles

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

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: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
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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