2,4-Dichloro-5-methoxybenzenamine

C₇H₇Cl₂NOCAS 98446-49-2192.04 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₇Cl₂NO
Molar mass: 192.04 g/mol
Exact mass: 190.9905 Da
Melting point: 50.5–51.5 °C
logP: 2.58Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed16.7% of notifiers
H302 Harmful if swallowed83.3% of notifiers
H311 Toxic in contact with skin16.7% of notifiers
H312 Harmful in contact with skin83.3% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H331 Toxic if inhaled16.7% of notifiers
H332 Harmful if inhaled83.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

98446-49-2

SMILES

COc1cc(N)c(Cl)cc1Cl

InChIKey

AJROJTARXSATEB-UHFFFAOYSA-N

InChI

InChI=1S/C7H7Cl2NO/c1-11-7-3-6(10)4(8)2-5(7)9/h2-3H,10H2,1H3

Weigh it out

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

Names and synonyms

3 names

Benzenamine, 2,4-dichloro-5-methoxy-
2,4-Dichloro-5-methoxyaniline
5-Amino-2,4-dichloroanisole

Work with 2,4-Dichloro-5-methoxybenzenamine

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

4-Chloro-2,5-dimethoxyaniline6358-64-177 % similar 5-Chloro-2,4-dimethoxyaniline97-50-770 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-667 % similar 2,4-Dichloro-5-(1-methylethoxy)benzenamine41200-96-861 % similar 4-Amino-5-chloro-2-methoxybenzoic acid7206-70-457 % similar 2,4,5-Trichloroaniline636-30-656 % similar 4-Chloro-3-methoxyaniline13726-14-255 % similar 3-Chloro-4-methoxyaniline5345-54-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Clopidol2971-90-6 6-Amino-2,4-dichloro-3-methylphenol40677-44-9 2,6-Dichloro-4-methoxyaniline6480-66-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook