chempirical

2,6-Dichloroaniline

C6H5Cl2NCAS 608-31-1162.01 g/mol

Open in Covalent MOL file
NH2ClCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H5Cl2N
Molar mass
162.01 g/mol
Exact mass
160.9799 Da
Melting point
39 °C
Boiling point
97 °C (at 5 Torr)
logP
2.58Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
608-31-1
SMILES
Nc1c(Cl)cccc1Cl
InChIKey
JDMFXJULNGEPOI-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2

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

Names and synonyms

4 names
  • Benzenamine, 2,6-dichloro-
  • Aniline, 2,6-dichloro-
  • 2,6-Dichlorobenzenamine
  • 2,6-Dichlorophenylamine

Reactions

Work with 2,6-Dichloroaniline

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-Chloro-6-fluoroaniline363-51-964 % similar 2-Chloro-6-methylaniline87-63-864 % similar 2,6-Dichloro-1,4-benzenediamine609-20-160 % similar 2,4,6-Trichloroaniline634-93-560 % similar 2-Chloro-6-(trifluoromethyl)benzenamine433-94-356 % similar 2-Amino-3-chlorobenzonitrile53312-77-956 % similar 2,6-Dichloro-4-fluorobenzenamine344-19-455 % similar 4-Bromo-2,6-dichloroaniline697-88-155 % similar

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

Same formula

5-Chloro-2-(chloromethyl)pyridine10177-24-9 2-Chloro-4-(chloromethyl)pyridine101990-73-2 2,4-Dichloro-3-methylpyridine132097-09-7 2,4-Dichloroaniline554-00-7 2,3-Dichloroaniline608-27-5 3,5-Dichloroaniline626-43-7 2-Chloro-5-(chloromethyl)pyridine70258-18-3 3,4-Dichloroaniline95-76-1

Elsewhere

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