2-Chloro-3-methoxyaniline

C₇H₈ClNOCAS 113206-03-4157.60 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₈ClNO
Molar mass: 157.60 g/mol
Exact mass: 157.0294 Da
logP: 1.93Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

113206-03-4

SMILES

COC1=CC=CC(=C1Cl)N

InChIKey

ZWPVZYDSURGWSY-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3

Weigh it out

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

Work with 2-Chloro-3-methoxyaniline

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Chloro-3-methoxyaniline hydrochloride85893-87-4Salt

Similar compounds

O-Anisidine90-04-062 % similar 3-Methoxy-2-methylaniline19500-02-861 % similar 2,3-Dichloroanisole1984-59-461 % similar 2,3-Dimethoxyaniline6299-67-861 % similar 2,6-Dimethoxyaniline2734-70-556 % similar 2-Anisidine hydrochloride134-29-255 % similar 2-Chloro-3-methoxybenzaldehyde54881-49-152 % similar 2,3,4-Trichloroanisole54135-80-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-3-methoxyaniline13726-14-2 2-Chloro-5-methoxybenzenamine2401-24-3 2-Amino-5-chlorobenzyl alcohol37585-25-4 2-Chloro-6-ethoxypyridine42144-78-5 3-Chloro-4-methoxyaniline5345-54-0 4-Chloro-2,3-dimethyl-1-oxidopyridin-1-ium59886-90-7 3-Amino-2-chloro-6-methylphenol84540-50-1 4-Chloro-2-methoxybenzenamine93-50-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook