o-Chlorophenoxyacetic acid

C₈H₇ClO₃CAS 614-61-9186.59 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇ClO₃
Molar mass: 186.59 g/mol
Exact mass: 186.0084 Da
Melting point: 148–149 °C
pKa: 3.05
Water solubility: 1.28 g/L (25 °C)
logP: 1.80Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

614-61-9

SMILES

O=C(O)COc1ccccc1Cl

InChIKey

OPQYFNRLWBWCST-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

9 names

Acetic acid, 2-(2-chlorophenoxy)-
Acetic acid, (o-chlorophenoxy)-
Acetic acid, (2-chlorophenoxy)-
2-(2-Chlorophenoxy)acetic acid
(2-Chlorophenoxy)acetic acid
NSC 8454
2-(o-Chlorophenoxy)acetic acid
ortho-Chlorophenoxyacetic acid
2-Chlorophenoxyacetic acid

Work with o-Chlorophenoxyacetic 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

2,3-Dichlorophenoxyacetic acid2976-74-176 % similar 1,2-Phenylenedioxydiacetic acid5411-14-373 % similar 2,4-Dichlorophenoxyacetic acid94-75-769 % similar 2,4,5-Trichlorophenoxyacetic acid93-76-568 % similar Naphthoxyacetic acid2976-75-264 % similar O-Bromophenoxyacetic acid1879-56-763 % similar (2-Methylphenoxy)acetic acid1878-49-561 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloromandelic acid10421-85-9 4-Chlorophenoxyacetic acid122-88-3 3-Chloromandelic acid16273-37-3 3-Chloro-4-hydroxy-5-methoxybenzaldehyde19463-48-0 2-Chloro-4-methoxybenzoic acid21971-21-1 (R)-2-(4-Chlorophenyl)-2-hydroxyethanoic acid32189-36-9 3-Chloro-2-methoxybenzoic acid3260-93-3 3-Chloro-4-hydroxyphenylacetic acid33697-81-3

Elsewhere

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