2,6-Dichloro-3,5-dimethoxyaniline

C₈H₉Cl₂NO₂CAS 872509-56-3222.06 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₈H₉Cl₂NO₂
Molar mass: 222.06 g/mol
Exact mass: 221.0010 Da
logP: 2.59Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

872509-56-3

SMILES

COC1=CC(=C(C(=C1Cl)N)Cl)OC

InChIKey

LCQFHEIDCMPNAN-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl2NO2/c1-12-4-3-5(13-2)7(10)8(11)6(4)9/h3H,11H2,1-2H3

Weigh it out

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

Work with 2,6-Dichloro-3,5-dimethoxyaniline

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

2,6-Dimethoxyaniline2734-70-552 % similar 2-Chloro-3-methoxyaniline113206-03-450 % similar 5-Chloro-2,4-dimethoxyaniline97-50-750 % similar 2,4-Dichloro-3-isocyanato-1,5-dimethoxybenzene872511-32-547 % similar 2,3-Dichloroanisole1984-59-447 % similar 2,6-Dichloro-4-methoxyaniline6480-66-647 % similar 2-Chloro-3-methoxyaniline hydrochloride85893-87-445 % similar 4-Chloro-2,5-dimethoxyaniline6358-64-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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