2,4-D Methyl ester

C9H8Cl2O3CAS 1928-38-7235.06 g/mol

Open in Covalent MOL file
OOOClCl
Aryl halideEsterEther

Properties

Molecular formula
C9H8Cl2O3
Molar mass
235.06 g/mol
Exact mass
233.9850 Da
Melting point
119 °C
Boiling point
119 °C (at 1 Torr)
logP
2.55Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, P501

Identifiers

CAS number
1928-38-7
SMILES
COC(=O)COc1ccc(Cl)cc1Cl
InChIKey
HWIGZMADSFQMOI-UHFFFAOYSA-N
InChI
InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Acetic acid, 2-(2,4-dichlorophenoxy)-, methyl ester
  • Acetic acid, (2,4-dichlorophenoxy)-, methyl ester
  • Methyl (2,4-dichlorophenoxy)acetate
  • (2,4-Dichlorophenoxy)acetic acid methyl ester
  • NSC 9399
  • 2,4-D-Methyl

Work with 2,4-D Methyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

MCPA methyl ester2436-73-973 % similar 2,4-D-Ethyl533-23-371 % similar 2,4-D Isobutyl ester1713-15-166 % similar 2,4-D n-Butyl ester94-80-464 % similar Methyl 2,4-dichlorobenzeneacetate55954-23-961 % similar 2,4-Dichlorophenoxyacetic acid94-75-761 % similar 2,4-D Isooctyl ester25168-26-758 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dichlorprop120-36-5 Ethyl 3,5-dichloro-4-hydroxybenzoate17302-82-8

Elsewhere

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