chempirical

2,3,4,5-Tetrachlorobenzonitrile

C7HCl4NCAS 36245-95-1240.89 g/mol

Open in Covalent MOL file
ClClClClN
Aryl halideNitrile

Properties

Molecular formula
C7HCl4N
Molar mass
240.89 g/mol
Exact mass
238.8863 Da
logP
4.17Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

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
36245-95-1
SMILES
C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N
InChIKey
IDOFZVGHXAVYEZ-UHFFFAOYSA-N
InChI
InChI=1S/C7HCl4N/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1H

Weigh it out

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

Work with 2,3,4,5-Tetrachlorobenzonitrile

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

4,5-Dichlorophthalonitrile139152-08-263 % similar 2,3-Dichlorobenzonitrile6574-97-657 % similar Pentachlorobenzene608-93-552 % similar 2-Chlorobenzonitrile873-32-552 % similar 5-Chloro-2,4-difluorobenzonitrile146780-26-948 % similar 2,5,6-Trichloronicotinonitrile40381-92-848 % similar 2,4-Dichloro-3-fluorobenzonitrile161612-68-645 % similar 2-Chloro-4,5-difluorobenzonitrile135748-34-445 % similar

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

Elsewhere

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