5-Chloro-2-methoxyaniline

C₇H₈ClNOCAS 95-03-4157.60 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
Melting point: 45–46 °C
logP: 1.93Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed15.3% of notifiers
H302 Harmful if swallowed84.7% of notifiers
H311 Toxic in contact with skin15.3% of notifiers
H312 Harmful in contact with skin84.7% of notifiers
H315 Causes skin irritation98.3% of notifiers
H319 Causes serious eye irritation98.3% of notifiers
H332 Harmful if inhaled84.7% of notifiers
H335 May cause respiratory irritation89.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure10.2% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

95-03-4

SMILES

COc1ccc(Cl)cc1N

InChIKey

WBSMIPLNPSCJFS-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

14 names · show all

Benzenamine, 5-chloro-2-methoxy-
o-Anisidine, 5-chloro-
5-Chloro-2-methoxybenzenamine
5-Chloro-o-anisidine
C.I. 37120, Free base
Tulabase fast red R
Tulabase fast red RC
2-Amino-4-chloro-1-methoxybenzene
2-Methoxy-5-chloroaniline
1-Amino-5-chloro-2-methoxybenzene
2-Amino-4-chloroanisole
4-Chloro-2-aminoanisole
NSC 6114
(5-Chloro-2-methoxyphenyl)amine

Work with 5-Chloro-2-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-Methoxy-5-chloroaniline hydrochloride4274-03-7Salt

Similar compounds

4-Chloro-2-methoxybenzenamine93-50-571 % similar 2,4-Dichloroanisole553-82-262 % similar 5-Chloro-2-(4-chlorophenoxy)benzenamine121-27-761 % similar 4-Chloro-1-methoxy-2-methylbenzene3260-85-360 % similar 2,5-Dimethoxyaniline102-56-759 % similar 2,4-Diaminoanisole615-05-459 % similar 4-Chloro-2-fluoro-1-methoxybenzene452-09-558 % similar 4-Chloro-2-iodoanisole52807-27-958 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-methoxyaniline113206-03-4 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook