chempirical

2,4,6-Trichlorobenzonitrile

C7H2Cl3NCAS 6575-05-9206.45 g/mol

Open in Covalent MOL file
ClNClCl
Aryl halideNitrile

Properties

Molecular formula
C7H2Cl3N
Molar mass
206.45 g/mol
Exact mass
204.9253 Da
logP
3.52Crippen 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
6575-05-9
SMILES
C1=C(C=C(C(=C1Cl)C#N)Cl)Cl
InChIKey
PGODHCIOIPODFE-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H

Weigh it out

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

Work with 2,4,6-Trichlorobenzonitrile

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

2,6-Dichlorobenzonitrile1194-65-665 % similar 2,6-Dichloro-4-(trifluoromethyl)benzonitrile157021-61-955 % similar 2,4-Dichlorobenzonitrile6574-98-754 % similar 2-Amino-3,5-dichlorobenzonitrile36764-94-053 % similar 3,5-Dichlorobenzonitrile6575-00-452 % similar 3,5-Dichloro-2-cyanopyridine85331-33-550 % similar 2,5-Dichlorobenzonitrile21663-61-648 % similar 4,5-Dichlorophthalonitrile139152-08-248 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook