Methyl 2,4-dichlorobenzeneacetate

C₉H₈Cl₂O₂CAS 55954-23-9219.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈Cl₂O₂
Molar mass: 219.06 g/mol
Exact mass: 217.9901 Da
logP: 2.71Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55954-23-9

SMILES

COC(=O)Cc1ccc(Cl)cc1Cl

InChIKey

SRCVNBFTEARRJY-UHFFFAOYSA-N

InChI

InChI=1S/C9H8Cl2O2/c1-13-9(12)4-6-2-3-7(10)5-8(6)11/h2-3,5H,4H2,1H3

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 2,4-dichloro-, methyl ester
Methyl (2,4-dichlorophenyl)acetate
2,4-Dichlorophenylacetic acid methyl ester
Methyl 2-(2,4-dichlorophenyl)acetate
2-(2,4-Dichlorophenyl)acetic acid methyl ester

Work with Methyl 2,4-dichlorobenzeneacetate

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

Methyl 2-chlorobenzeneacetate57486-68-769 % similar 2,4-D Methyl ester1928-38-761 % similar Methyl 4-chlorobenzeneacetate52449-43-159 % similar 2,4-Dichlorophenylacetic acid19719-28-956 % similar Methyl 2,4-dichlorobenzoate35112-28-853 % similar MCPA methyl ester2436-73-949 % similar Methyl 2,5-dichlorobenzoate2905-69-349 % similar Methyl 1-naphthylacetate2876-78-048 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(3,4-Dichlorophenyl)propionic acid25173-68-6 Ethyl 2,5-dichlorobenzoate35112-27-7 3-(2,4-Dichlorophenyl)propionic acid55144-92-8 Ethyl 2,4-dichlorobenzoate56882-52-1 Methyl 2-(3,4-dichlorophenyl)acetate6725-44-6 Ethyl 3,5-dichlorobenzoate91085-56-2

Elsewhere

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