Chemical substance record

Clomazone

81777-89-1C₁₂H₁₄ClNO₂239.702 g/mol

Organic/Inorganic Small MoleculeChEBI source record

An isoxazolidinone that is 1,2-oxazolidin-3-one substituted by a 2-chlorobenzyl group at position 2 and two methyl groups at position 4. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values

CAS number	81777-89-1	ChEBI ↗
Molecular formula	C₁₂H₁₄ClNO₂	ChEBI ↗
Molar mass	239.702 g/mol	ChEBI ↗
Monoisotopic mass	239.07131 Da	ChEBI ↗
Formal charge	0	ChEBI ↗
ChEBI identifier	CHEBI:3751	ChEBI ↗

Cross-source molecular data

PubChem

Molar mass	239.70 g/mol	PubChem ↗
Exact mass	239.0713064 Da	PubChem ↗
Computed XLogP	2.5	PubChem ↗
Topological polar surface area (Å²)	29.5	PubChem ↗
H-bond donors	0	PubChem ↗
H-bond acceptors	2	PubChem ↗
Rotatable bonds	2	PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

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Source preferred name

clomazone

IUPAC name

2-(2-chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one

InChIKey

KIEDNEWSYUYDSN-UHFFFAOYSA-N

SMILES

CC1(C)CON(Cc2ccccc2Cl)C1=O

InChI

InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3

Names & synonyms

2-(2-chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

isoxazolidinoneChEBI parent class · 55375 ↗monochlorobenzenesChEBI parent class · 83403 ↗

organochlorine compound organic heterocyclic compound organic molecular entity

Roles recorded in ChEBI

carotenoid biosynthesis inhibitorherbicideagrochemicalxenobioticenvironmental contaminant

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass

Amount

Input unit

Equivalent amount

0.00417185 mol

Uses 239.702 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions

C

Carbon · 12 atoms

60.13%

Cl

Chlorine · 1 atom

14.79%

O

Oxygen · 2 atoms

13.35%

H

Hydrogen · 14 atoms

5.89%

N

Nitrogen · 1 atom

5.84%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Mitigation of dimethazone residues in soil and runoff water from agricultural field. ↗Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes · 2011 · PMID 21191867

Hematological and biochemical alterations in the fish Prochilodus lineatus caused by the herbicide clomazone. ↗Environmental toxicology and pharmacology · 2013 Jul · PMID 23538322

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Sources & record history

Checked 27 Sep 2026

Identity, formula, mass, synonyms & ontologyEMBL-EBI ChEBI · CHEBI:3751

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

Additional molecular descriptorsNCBI PubChem · CID 54778 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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