2,4-D
A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. — ChEBI
Safety documents & references
2 indexed referencesFind 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 number | 94-75-7 | ChEBI ↗ |
| Molecular formula | C8H6Cl2O3 | ChEBI ↗ |
| Molar mass | 221.039 g/mol | ChEBI ↗ |
| Monoisotopic mass | 219.9694 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:28854 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 221.03 g/mol | PubChem ↗ |
| Exact mass | 219.9693994 Da | PubChem ↗ |
| Computed XLogP | 2.8 | PubChem ↗ |
| Topological polar surface area (Ų) | 46.5 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 3 | 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
Copy any identifier2,4-D(2,4-dichlorophenoxy)acetic acidOVSKIKFHRZPJSS-UHFFFAOYSA-NO=C(O)COc1ccc(Cl)cc1ClInChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Safety classification · Japan
NITE / Japanese government2,4-Dichlorophenoxyacetic acid · H28-B-031, C-042B
| Endpoint | Reported classification |
|---|---|
| Acute toxicity （Oral） | Category 4 |
| Serious eye damage/eye irritation | Category 2A |
| Carcinogenicity | Category 2 |
| Reproductive toxicity | Category 2 |
| Specific target organ toxicity - Single exposure | Category 1 (nervous system)_x000D_ Category 3 (narcotic effects) |
| Specific target organ toxicity - Repeated exposure | Category 1 (nervous system, haemal system, liver, kidney) |
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 classificationMass ↔ amount of substance
Calculated from sourced massUses 221.039 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCClOHCalculated 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 associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
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.