4,4'-(1-Methylene) bis-benzonitrile

C15H10N2CAS 10466-37-2218.26 g/mol

Open in Covalent MOL file
NN
Nitrile

Properties

Molecular formula
C15H10N2
Molar mass
218.26 g/mol
Exact mass
218.0844 Da
logP
3.02Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
10466-37-2
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)C#N)C#N
InChIKey
QHPFUQAZWHBITN-UHFFFAOYSA-N
InChI
InChI=1S/C15H10N2/c16-10-14-5-1-12(2-6-14)9-13-3-7-15(11-17)8-4-13/h1-8H,9H2

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Names and synonyms

1 names
  • 4,4'-Methylenebisbenzonitrile

Work with 4,4'-(1-Methylene) bis-benzonitrile

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-(2-Hydroxyethyl)benzonitrile69395-13-770 % similar 1,4-Dicyanobenzene623-26-767 % similar 4-(Hydroxymethyl)benzonitrile874-89-565 % similar 4-Cyanobenzylamine10406-25-463 % similar 4-Cyanobenzyl bromide17201-43-363 % similar 4-Ethylbenzonitrile25309-65-363 % similar 4-Cyanobenzyl chloride874-86-263 % similar 4-Cyanophenylacetonitrile876-31-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5H-Dibenz(b,f)azepine-5-carbonitrile42787-75-7 11H-Dibenzo[B,E]azepine-6-carbonitrile80012-69-7

Elsewhere

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