chempirical

2,6-Dichlorobenzonitrile

C7H3Cl2NCAS 1194-65-6172.01 g/mol

Open in Covalent MOL file
NClCl
Aryl halideNitrile

Properties

Molecular formula
C7H3Cl2N
Molar mass
172.01 g/mol
Exact mass
170.9643 Da
Melting point
144–145 °C
Boiling point
270 °C
logP
2.87Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1194-65-6
SMILES
N#Cc1c(Cl)cccc1Cl
InChIKey
YOYAIZYFCNQIRF-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H

Weigh it out

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

Names and synonyms

15 names · show all
  • Benzonitrile, 2,6-dichloro-
  • H 133
  • Nia 5996
  • Casoron 133
  • Casoron
  • Dichlobenil
  • Niagara 5996
  • DBN
  • DBN (pesticide)
  • 2,6-Dichlorocyanobenzene
  • Casoron G
  • Surfassol
  • NSC 521490
  • Casoron 4G
  • Casoron CS

Work with 2,6-Dichlorobenzonitrile

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-Chloro-6-methylbenzonitrile6575-09-368 % similar 2-Amino-6-chlorobenzonitrile6575-11-768 % similar 2-Chloro-6-fluorobenzonitrile668-45-168 % similar 2-Chlorobenzonitrile873-32-561 % similar 2-Chloro-6-nitrobenzonitrile6575-07-155 % similar 1,2-Dichlorobenzene95-50-153 % similar 9,10-Dicyanoanthracene1217-45-450 % similar 2-Amino-3-chlorobenzonitrile53312-77-950 % similar

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

Same formula

2,5-Dichlorobenzonitrile21663-61-6 2,3-Dichlorobenzonitrile6574-97-6 2,4-Dichlorobenzonitrile6574-98-7 3,4-Dichlorobenzonitrile6574-99-8 3,5-Dichlorobenzonitrile6575-00-4

Elsewhere

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