chempirical

2-Amino-4,6-dichloro-5-methylphenol hydrochloride

C7H8Cl3NOCAS 39549-31-0228.50 g/mol

Open in Covalent MOL file
ClNH2OHClHCl
Aryl halidePhenolPrimary amine

Properties

Molecular formula
C7H8Cl3NO
Molar mass
228.50 g/mol
Exact mass
226.9671 Da
Melting point
above 230 °C
logP
3.01Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
39549-31-0
SMILES
Cc1c(Cl)cc(N)c(O)c1Cl.Cl
InChIKey
ZOQYQHLEDJOHOK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl2NO.ClH/c1-3-4(8)2-5(10)7(11)6(3)9;/h2,11H,10H2,1H3;1H

Weigh it out

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

Names and synonyms

6 names
  • Phenol, 6-amino-2,4-dichloro-3-methyl-, hydrochloride (1:1)
  • Phenol, 6-amino-2,4-dichloro-3-methyl-, hydrochloride
  • m-Cresol, 6-amino-2,4-dichloro-, hydrochloride
  • 3,5-Dichloro-6-hydroxy-4-methylaniline hydrochloride
  • PC 87
  • 6-Amino-2,4-dichloro-3-methylphenol hydrochloride

Work with 2-Amino-4,6-dichloro-5-methylphenol 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

Similar compounds

6-Amino-2,4-dichloro-3-methylphenol40677-44-990 % similar 6-Amino-2,4-dichloro-3-ethylphenol hydrochloride101819-99-262 % similar 2-Amino-4,6-dichlorophenol527-62-843 % similar 3-Chloro-2-methylaniline87-60-543 % similar 4-Amino-3-chlorophenol hydrochloride52671-64-441 % similar 3-Amino-2-chloro-6-methylphenol84540-50-141 % similar o-Chloroaniline hydrochloride137-04-239 % similar 2,3,5,6-Tetrachlorophenol935-95-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook