Methyl 3,5-dichloro-4-hydroxybenzoate

C₈H₆Cl₂O₃CAS 3337-59-5221.03 g/mol

Open in Covalent MOL file

Aryl halide Ester Phenol

Properties

Molecular formula: C₈H₆Cl₂O₃
Molar mass: 221.03 g/mol
Exact mass: 219.9694 Da
Melting point: 122 °C
logP: 2.49Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

3337-59-5

SMILES

COC(=O)c1cc(Cl)c(O)c(Cl)c1

InChIKey

UKMOOQFHBGTLAO-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3

Weigh it out

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

Names and synonyms

3 names

Benzoic acid, 3,5-dichloro-4-hydroxy-, methyl ester
Methyl 4-hydroxy-3,5-dichlorobenzoate
3,5-Dichloro-4-hydroxybenzoic acid methyl ester

Work with Methyl 3,5-dichloro-4-hydroxybenzoate

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 3,5-dichloro-4-hydroxybenzoate17302-82-864 % similar Methyl 3-chloro-4-hydroxybenzoate3964-57-664 % similar Methyl gallate99-24-164 % similar Methyl 3,4-dichlorobenzoate2905-68-262 % similar Methyl 3,5-dibromo-4-hydroxybenzoate41727-47-360 % similar Methyl syringate884-35-560 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-459 % similar Dimethyl 5-hydroxyisophthalate13036-02-758 % similar

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

Same formula

Dicamba1918-00-9 2,3-Dichlorophenoxyacetic acid2976-74-1 2,4-Dichlorophenoxyacetic acid94-75-7

Elsewhere

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