2-(2,4-Dichlorophenoxy)ethanol

C₈H₈Cl₂O₂CAS 120-67-2207.05 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether

Properties

Molecular formula: C₈H₈Cl₂O₂
Molar mass: 207.05 g/mol
Exact mass: 205.9901 Da
Melting point: 57–58 °C
Boiling point: 121–128 °C (at 1 Torr)
logP: 2.36Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.5% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

120-67-2

SMILES

OCCOc1ccc(Cl)cc1Cl

InChIKey

PCCMNBRZMKANQD-UHFFFAOYSA-N

InChI

InChI=1S/C8H8Cl2O2/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5,11H,3-4H2

Weigh it out

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

Names and synonyms

4 names

Ethanol, 2-(2,4-dichlorophenoxy)-
o,p-Dichlorophenoxyethanol
NSC 423
2-(2,4-Dichlorophenoxy)ethan-1-ol

Work with 2-(2,4-Dichlorophenoxy)ethanol

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-(2-Chlorophenoxy)ethanol15480-00-966 % similar 2,4-DB94-82-656 % similar 2-(4-Chlorophenoxy)ethanol1892-43-955 % similar 2,4-Dichlorophenoxyacetonitrile3956-63-654 % similar 2,4-Dichlorophenoxyacetic acid94-75-754 % similar 2,4-Dichlorophenethyl alcohol81156-68-551 % similar 2,4-Dichloroanisole553-82-250 % similar 2,4-D-Ethyl533-23-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dichloro-2,5-dimethoxybenzene2675-77-6

Elsewhere

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