chempirical

3,5-Dichloroaniline

C6H5Cl2NCAS 626-43-7162.01 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
Density
1.58 g/mL
Melting point
51–53 °C
Boiling point
260 °C (at 741 Torr)
logP
2.58Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
626-43-7
SMILES
Nc1cc(Cl)cc(Cl)c1
InChIKey
UQRLKWGPEVNVHT-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2

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Names and synonyms

6 names
  • Benzenamine, 3,5-dichloro-
  • Aniline, 3,5-dichloro-
  • 3,5-Dichlorobenzenamine
  • 3,5-Dichlorophenylamine
  • 3,5-Dichlorolaniline
  • 3,5-DCA

Work with 3,5-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

3,5-Diaminochlorobenzene33786-89-988 % similar 3-Chloro-5-methylbenzenamine29027-20-164 % similar 3-Chloro-5-fluorobenzenamine4863-91-664 % similar 1,3,5-Trichlorobenzene108-70-360 % similar 3-Chloroaniline108-42-957 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-856 % similar 5-Chloro-3-pyridinamine22353-34-052 % similar 4-Chloroaniline106-47-850 % 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 2,6-Dichloroaniline608-31-1 2-Chloro-5-(chloromethyl)pyridine70258-18-3 3,4-Dichloroaniline95-76-1

Elsewhere

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