2,4-D n-Butyl ester

C₁₂H₁₄Cl₂O₃CAS 94-80-4277.14 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
Melting point: 9 °C
Boiling point: 146–147 °C (at 1 Torr)
Flash point: 79.4 °C (open cup)
Water solubility: 46 mg/L (25 °C)
logP: 3.72Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction95.4% of notifiers
H400 Very toxic to aquatic life96.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects96.6% of notifiers

Aggregated from 87 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

94-80-4

SMILES

CCCCOC(=O)COc1ccc(Cl)cc1Cl

InChIKey

UQMRAFJOBWOFNS-UHFFFAOYSA-N

InChI

InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3

Weigh it out

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

Names and synonyms

17 names · show all

Butyl (2,4-dichlorophenoxy)acetate
Acetic acid, 2-(2,4-dichlorophenoxy)-, butyl ester
Acetic acid, (2,4-dichlorophenoxy)-, butyl ester
Butyl 2,4-D
Esso herbicide 10
Lironox
2,4-Dichlorophenoxyacetic acid butyl ester
Fernesta
Butyl dichlorophenoxyacetate
2,4-Dichlorophenoxyacetic acid n-butyl ester
2,4-DBE
Butapon
Hi-ester 2,4-D
NSC 409767
Esteron 400BR
2,4-D Butylate
2,4-D Butyl ester

Work with 2,4-D n-Butyl 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-Ethyl533-23-373 % similar 2,4-D Isooctyl ester25168-26-770 % similar 2,4-D Methyl ester1928-38-764 % similar 2,4-Dichlorophenoxyacetic acid94-75-757 % similar Aminol2008-39-153 % similar 2,4-DB94-82-652 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-950 % similar 2,4-Dichlorophenoxyacetic acid hydrazide28236-62-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-D Isobutyl ester1713-15-1

Elsewhere

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