chempirical

2,4-Dichloroaniline

C6H5Cl2NCAS 554-00-7162.01 g/mol

Open in Covalent MOL file
H2NClCl
Aryl halidePrimary amine

Properties

Molecular formula
C6H5Cl2N
Molar mass
162.01 g/mol
Exact mass
160.9799 Da
Density
1.567 g/mL (at 20 °C)
Melting point
63–64 °C
Boiling point
245 °C
logP
2.58Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
554-00-7
SMILES
Nc1ccc(Cl)cc1Cl
InChIKey
KQCMTOWTPBNWDB-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

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

Names and synonyms

7 names
  • Benzenamine, 2,4-dichloro-
  • Aniline, 2,4-dichloro-
  • 2,4-Dichlorobenzenamine
  • o,p-Dichloroaniline
  • 2,4-Dichlorophenylamine
  • NSC 8756
  • 4-Chloro-2-chloroaniline

Work with 2,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,5-Dichloroaniline95-82-967 % similar 4-Chloro-1,2-phenylenediamine95-83-065 % similar 3,3'-Dichlorobenzidine91-94-163 % similar 2-Chloro-P-phenylenediamine615-66-760 % similar 2-Chloro-4-methylaniline615-65-658 % similar 4-Chloro-O-toluidine95-69-258 % similar 1,2,4-Trichlorobenzene120-82-157 % similar 4,4'-Methylenebis(2-chloroaniline)101-14-456 % 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 2,3-Dichloroaniline608-27-5 2,6-Dichloroaniline608-31-1 3,5-Dichloroaniline626-43-7 2-Chloro-5-(chloromethyl)pyridine70258-18-3 3,4-Dichloroaniline95-76-1

Elsewhere

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