chempirical

Butyl (2,4-dichlorophenoxy)acetate

C12H14Cl2O3CAS 94-80-4277.14 g/mol

Open in Covalent MOL file
OOOClCl
Aryl halideEsterEther

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)
logP
3.72Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
6

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

16 names · show all
  • 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 Butyl (2,4-dichlorophenoxy)acetate

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

Ethyl 2,4-dichlorophenoxyacetate533-23-373 % 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-(2,4-Dichlorophenoxy)ethanol120-67-248 % similar Mcpa methyl ester2436-73-947 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-D Isobutyl ester1713-15-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook