2,4-Dichlorophenylacetic acid

C₈H₆Cl₂O₂CAS 19719-28-9205.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆Cl₂O₂
Molar mass: 205.03 g/mol
Exact mass: 203.9745 Da
Melting point: 131 °C
logP: 2.62Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation98.8% of notifiers
H319 Causes serious eye irritation96.2% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 80 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

19719-28-9

SMILES

O=C(O)Cc1ccc(Cl)cc1Cl

InChIKey

GXMWLJKTGBZMBH-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

5 names

Benzeneacetic acid, 2,4-dichloro-
Acetic acid, (2,4-dichlorophenyl)-
2,4-Dichlorobenzeneacetic acid
NSC 54853
2-(2,4-Dichlorophenyl)acetic acid

Work with 2,4-Dichlorophenylacetic acid

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

3-(2,4-Dichlorophenyl)propionic acid55144-92-871 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-967 % similar 4-Chloro-2-fluorophenylacetic acid194240-75-067 % similar o-Chlorophenylacetic acid2444-36-267 % similar 2-Bromo-4-chlorophenylacetic acid52864-56-967 % similar (βS)-β-Amino-2,4-dichlorobenzenebutanoic acid270063-47-363 % similar 2-(2-Bromo-5-chlorophenyl)acetic acid81682-38-462 % similar Methyl 2,4-dichlorobenzeneacetate55954-23-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 Methyl 2,6-dichlorobenzoate14920-87-7 Methyl 2,3-dichlorobenzoate2905-54-6 3,5-Dichlorobenzoic acid methyl ester2905-67-1 Methyl 3,4-dichlorobenzoate2905-68-2 Methyl 2,5-dichlorobenzoate2905-69-3 5-Chloro-2-methoxybenzoyl chloride29568-33-0 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-4

Elsewhere

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