Basic information
- Standard SMILES
O=C(O)COc1ccc(Cl)cc1Cl- InChIKey
OVSKIKFHRZPJSS-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2O3
- Average molar mass
- 221.03 g/mol
- Monoisotopic mass
- 219.9693994
Names & identifiers
- Preferred name
- (2,4-Dichlorophenoxy)Acetic Acid
- IUPAC
- 2-(2,4-dichlorophenoxy)acetic acid
- English name
- 2,4-Dichlorophenoxyacetic acid
- Molecular formula
- C8H6Cl2O3
- Molecular weight
- 221.03744
Names & synonyms
2,4-dichlorophenoxyacetic acid94-75-72-(2,4-dichlorophenoxy)acetic acid2,4-D(2,4-Dichlorophenoxy)acetic acidDicopurRhodiaB-SelektononChloroxoneFernimineNetagroneVergemaster
Show more names
AgrotectAmoxoneDormoneTributonEstoneIpanerMoxonePhenox
Database identifiers
- CAS
94-75-7- PubChem CID
- 1486
- DTXSID
DTXSID0020442- ChEMBL
CHEMBL367623- ChEBI
CHEBI:28854- UNII
- 2577AQ9262
- EC Number
- 202-361-1
- Nikkaji
- J3.947K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 138 °C · 138 °C
- Boiling point
- 160 °C · 160 °C(Press: 0.4 Torr)
- Density
- 1.42 g/cm3 · 1.42 g/cm3(Temp: 25 °C)
- pka
- 2.98 · 2.98±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H318-H335-H410
- Precautionary statements
- 261 · P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
- RIDADR
- 3077 · 3077
- HazardClass
- 9 · 9
- PackingGroup
- III
Safety & regulation
Safety data
- ridadr
- 3077
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_class
- 9
- packing_group
- III
- Hazard statements
- H302-H317-H318-H335-H410
- Precautionary statements
- P261-P273-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
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Additional notes
DefinitionChEBI: 2,4-D is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. It has a role as a synthetic auxin, a defoliant, an agrochemical, an EC 1.1.1.25 (shikimate dehydrogenase) inhibitor, an environmental contaminant and a phenoxy herbicide. It is a chlorophenoxyacetic acid and a dichlorobenzene. It is a conjugate acid of a (2,4-dichlorophenoxy)acetate.
Related reactions
47 records
Linked notes
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