3,5-Dichlorophenoxyacetonitrile

C8H5Cl2NOCAS 103140-12-1202.03 g/mol

Open in Covalent MOL file
ClClON
Aryl halideEtherNitrile

Properties

Molecular formula
C8H5Cl2NO
Molar mass
202.03 g/mol
Exact mass
200.9748 Da
logP
2.90Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
103140-12-1
SMILES
C1=C(C=C(C=C1Cl)Cl)OCC#N
InChIKey
PNROREDTZJCOHF-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl2NO/c9-6-3-7(10)5-8(4-6)12-2-1-11/h3-5H,2H2

Weigh it out

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

Names and synonyms

1 names
  • 2-(3,5-Dichlorophenoxy)acetonitrile

Work with 3,5-Dichlorophenoxyacetonitrile

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-(3-Chlorophenoxy)acetonitrile43111-32-670 % similar 2-(4-Chlorophenoxy)acetonitrile3598-13-866 % similar Phenoxyacetonitrile3598-14-952 % similar 3-(Trifluoromethyl)phenoxyacetonitrile2145-31-549 % similar 2-(2-Chlorophenoxy)acetonitrile43111-31-548 % similar 4-Methoxyphenoxyacetonitrile22446-12-445 % similar 2-(4-Methylphenoxy)acetonitrile33901-44-945 % similar 2-(4-Formylphenoxy)acetonitrile385383-45-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dichlorobenzyl isocyanate19752-09-1 2,4-Dichlorophenoxyacetonitrile3956-63-6 5,6-Dichloroindolin-2-one71293-59-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook