chempirical

2,4-Dichlorophenoxyacetonitrile

C8H5Cl2NOCAS 3956-63-6202.03 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
3956-63-6
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC#N
InChIKey
QSDMPLNZSJLFRM-UHFFFAOYSA-N
InChI
InChI=1S/C8H5Cl2NO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,4H2

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Names and synonyms

1 names
  • 2-(2,4-Dichlorophenoxy)acetonitrile

Work with 2,4-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-(2-Chlorophenoxy)acetonitrile43111-31-569 % similar 2-(4-Chlorophenoxy)acetonitrile3598-13-856 % similar 2-(3-Chlorophenoxy)acetonitrile43111-32-656 % similar 2-(2,4-Dichlorophenoxy)ethanol120-67-254 % similar 2,4-Dichlorobenzeneacetonitrile6306-60-153 % similar 2,4-Dichlorophenoxyacetic acid hydrazide28236-62-649 % similar 2,4-Dichlorophenoxyacetic acid94-75-749 % similar 2,4-Dichloroanisole553-82-249 % similar

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

Same formula

3,5-Dichlorophenoxyacetonitrile103140-12-1 3,4-Dichlorobenzyl isocyanate19752-09-1

Elsewhere

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