2,4-D Isobutyl ester

C₁₂H₁₄Cl₂O₃CAS 1713-15-1277.14 g/mol

Open in Covalent MOL file

Aryl halide Ester Ether

Properties

Molecular formula: C₁₂H₁₄Cl₂O₃
Molar mass: 277.14 g/mol
Exact mass: 276.0320 Da
Boiling point: 133–134 °C (at 1 Torr)
logP: 3.57Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed85% of notifiers
H317 May cause an allergic skin reaction85% of notifiers
H400 Very toxic to aquatic life85% of notifiers
H410 Very toxic to aquatic life with long lasting effects85% of notifiers

Aggregated from 20 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

1713-15-1

SMILES

CC(C)COC(=O)COc1ccc(Cl)cc1Cl

InChIKey

GPSGZZSRFJXXBA-UHFFFAOYSA-N

InChI

InChI=1S/C12H14Cl2O3/c1-8(2)6-17-12(15)7-16-11-4-3-9(13)5-10(11)14/h3-5,8H,6-7H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Acetic acid, 2-(2,4-dichlorophenoxy)-, 2-methylpropyl ester
Acetic acid, (2,4-dichlorophenoxy)-, isobutyl ester
Acetic acid, (2,4-dichlorophenoxy)-, 2-methylpropyl ester
Isobutyl 2,4-dichlorophenoxyacetate
2,4-Dichlorophenoxyacetic acid isobutyl ester
Isobutyl 2,4-D
NSC 409768
2,4-D-Isobutyl

Work with 2,4-D Isobutyl 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

2,4-D Isooctyl ester25168-26-771 % similar 2,4-D-Ethyl533-23-370 % similar 2,4-D Methyl ester1928-38-766 % similar 2,4-Dichlorophenoxyacetic acid94-75-758 % similar Aminol2008-39-154 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-951 % similar 2,4-Dichlorophenoxyacetic acid hydrazide28236-62-651 % similar Dichlorprop120-36-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-D n-Butyl ester94-80-4

Elsewhere

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