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Chemical substance record

Diuron

330-54-1C9H10Cl2N2O233.098 g/mol

A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. — ChEBI

Safety references

Safety documents & references

2 indexed references
US · NIOSH

Occupational chemical safety guide

Diuron

Read official guide
JP · NITE

Government GHS classification

R04-C-027-JNIOSH · FY2022

View classification

Find a product-specific SDS

Safety guides and government classification records are not a manufacturer’s SDS. Match supplier, product number, concentration, physical form, region and revision before using a document.

Identity & molecular properties

Source-linked values
CAS number330-54-1ChEBI ↗
Molecular formulaC9H10Cl2N2OChEBI ↗
Molar mass233.098 g/molChEBI ↗
Monoisotopic mass232.01702 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:116509ChEBI ↗

Cross-source molecular data

PubChem
Molar mass233.09 g/molPubChem ↗
Exact mass232.0170183 DaPubChem ↗
Computed XLogP2.7PubChem ↗
Topological polar surface area (Ų)32.3PubChem ↗
H-bond donors1PubChem ↗
H-bond acceptors1PubChem ↗
Rotatable bonds1PubChem ↗

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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diuron
3-(3,4-dichlorophenyl)-1,1-dimethylurea
XMTQQYYKAHVGBJ-UHFFFAOYSA-N
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

Names & synonyms

3-(3,4-dichlorophenyl)-1,1-dimethylurea

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

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

urea herbicidemitochondrial respiratory-chain inhibitorphotosystem-II inhibitorxenobioticenvironmental contaminant

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

Safety classification · Japan

NITE / Japanese government
Japan · FY2022 source classification
3-(3,4-Dichlorophenyl)-1,1-dimethylurea; Diuron · R04-C-027-JNIOSH
EndpointReported classification
CarcinogenicityCategory 1B
Specific target organ toxicity - Repeated exposureCategory 1 (blood system), Category 2 (urinary organs)

Selected source-reported endpoints. Other endpoints, rationales and conditions remain in the original classification. Missing or unlisted information does not mean non-hazardous. This is not a global classification or transport decision.

Read the original NITE classification

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00429004 mol

Uses 233.098 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 · 9 atoms
46.38%
Cl
Chlorine · 2 atoms
30.42%
N
Nitrogen · 2 atoms
12.02%
O
Oxygen · 1 atom
6.86%
H
Hydrogen · 10 atoms
4.32%

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
Prediction of drug solubility from Monte Carlo simulations. ↗Bioorganic & medicinal chemistry letters · 2000 Jun 5 · PMID 10866370
Investigating biological activity spectrum for novel quinoline analogues. ↗Bioorganic & medicinal chemistry · 2007 Feb 1 · PMID 17142046
CN103120180 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
CN103125511 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
US2768971 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:116509

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

NCBI PubChem · CID 3120 · 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.