6-Amino-2,4-dichloro-3-methylphenol

C₇H₇Cl₂NOCAS 40677-44-9192.04 g/mol

Open in Covalent MOL file

Aryl halide Phenol Primary amine

Properties

Molecular formula: C₇H₇Cl₂NO
Molar mass: 192.04 g/mol
Exact mass: 190.9905 Da
Melting point: 133–134 °C
logP: 2.59Crippen estimate
Polar surface area: 46.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

40677-44-9

SMILES

Cc1c(Cl)cc(N)c(O)c1Cl

InChIKey

QDOGSLSGLUTSQL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Phenol, 6-amino-2,4-dichloro-3-methyl-
2-Amino-4,6-dichloro-5-methylphenol
6-Amino-2,4-dichloro-m-cresol
3,5-Dichloro-2-hydroxy-4-methylaniline

Work with 6-Amino-2,4-dichloro-3-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

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.

6-Amino-2,4-dichloro-m-cresol hydrochloride39549-31-0Salt

Similar compounds

6-Amino-2,4-dichloro-3-ethylphenol hydrochloride101819-99-254 % similar 2-Amino-4,6-dichlorophenol527-62-847 % similar 3-Chloro-2-methylaniline87-60-547 % similar 2-Amino-6-chlorophenol38191-33-245 % similar 3-Amino-2-chloro-6-methylphenol84540-50-144 % similar 4-Chloro-5-methylbenzene-1,2-diamine63155-04-442 % similar 2,3,5,6-Tetrachlorophenol935-95-542 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Clopidol2971-90-6 2,6-Dichloro-4-methoxyaniline6480-66-6 2,4-Dichloro-5-methoxybenzenamine98446-49-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook