3-Amino-2-chloro-6-methylphenol

C₇H₈ClNOCAS 84540-50-1157.60 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₇H₈ClNO
Molar mass: 157.60 g/mol
Exact mass: 157.0294 Da
logP: 1.94Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation13.1% of notifiers
H319 Causes serious eye irritation65.5% of notifiers
H335 May cause respiratory irritation11.9% of notifiers
H411 Toxic to aquatic life with long lasting effects17.9% of notifiers

Aggregated from 84 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

84540-50-1

SMILES

Cc1ccc(N)c(Cl)c1O

InChIKey

XYRDGCCCBJITBH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

7 names

Phenol, 3-amino-2-chloro-6-methyl-
2-Methyl-5-amino-6-chlorophenol
2-Chloro-3-amino-6-methylphenol
2-Chloro-6-methyl-3-aminophenol
6-Methyl-3-amino-2-chlorophenol
5-Amino-6-chloro-2-methylphenol
5-Amino-6-chloro-o-cresol

Work with 3-Amino-2-chloro-6-methylphenol

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-Amino-6-methylphenol17672-22-957 % similar 2-Chloro-6-methyl-3-nitrophenol39183-20-547 % similar Poly(P-phenylene oxide)25134-01-446 % similar 2,6-Xylenol576-26-146 % similar 6-Amino-2,4-dichloro-3-methylphenol40677-44-944 % similar 2-Bromo-6-methylphenol13319-71-644 % similar 2-Chloro-6-methylphenol87-64-944 % similar 4-Chloro-o-toluidine95-69-244 % 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 4-Chloro-2-methoxybenzenamine93-50-5

Elsewhere

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