2-Chloro-5-methoxyaniline hydrochloride

C₇H₉Cl₂NOCAS 85006-21-9194.06 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₉Cl₂NO
Molar mass: 194.06 g/mol
Exact mass: 193.0061 Da
Melting point: 203–205 °C (decomposes)
logP: 2.35Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed10.6% of notifiers
H311 Toxic in contact with skin10.6% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 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, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

85006-21-9

SMILES

COc1ccc(Cl)c(N)c1.Cl

InChIKey

NQWBPXKJBZYGHZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 2-chloro-5-methoxy-, hydrochloride (1:1)
Benzenamine, 2-chloro-5-methoxy-, hydrochloride
6-Chloro-m-anisidine hydrochloride
6-Chloro-3-methoxyaniline hydrochloride
2-Chloro-5-methoxyanilinium chloride

Work with 2-Chloro-5-methoxyaniline hydrochloride

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-5-methoxybenzenamine2401-24-3Free base

Similar compounds

4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-967 % similar 1,2-Dichloro-4-methoxybenzene36404-30-560 % similar 4-Methoxy-1,2-phenylenediamine102-51-257 % similar 1-Chloro-4-methoxy-2-methylbenzene13334-71-956 % similar 1-Chloro-2,4-dimethoxybenzene7051-13-056 % similar 2-Chloro-4-methoxy-1-methylbenzene54788-38-455 % similar 2,5-Dimethoxyaniline102-56-753 % similar 2-Chloro-5-methoxyphenol18113-04-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-5-chloroaniline hydrochloride4274-03-7 2-Chloro-3-methoxyaniline hydrochloride85893-87-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook