α-Phenyl-2-pyridineacetonitrile
Properties
- Molecular formula
- C13H10N2
- Molar mass
- 194.24 g/mol
- Exact mass
- 194.0844 Da
- Melting point
- 88–89 °C
- Boiling point
- 150–155 °C (at 0.5 Torr)
- logP
- 2.74Crippen estimate
- Polar surface area
- 36.7 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed93% of notifiers
- H312 Harmful in contact with skin90.7% of notifiers
- H315 Causes skin irritation93% of notifiers
- H318 Causes serious eye damage90.7% of notifiers
- H332 Harmful if inhaled90.7% of notifiers
- H335 May cause respiratory irritation90.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5005-36-7SMILES
N#CC(c1ccccc1)c1ccccn1InChIKey
CAXNYFPECZCGFK-UHFFFAOYSA-NInChI
InChI=1S/C13H10N2/c14-10-12(11-6-2-1-3-7-11)13-8-4-5-9-15-13/h1-9,12HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Pyridineacetonitrile, α-phenyl-
- α-Phenyl-α-(2-pyridyl)acetonitrile
- 2-Phenyl-2-(2-pyridyl)acetonitrile
- 2-Pyridylphenylacetonitrile
- Phenyl(pyridin-2-yl)acetonitrile
- NSC 16276
- 2-Phenyl-2-(pyridin-2-yl)acetonitrile
- 2-Phenyl-2-pyridin-2-ylacetonitrile
- Alpha-Phenyl-2-pyridineacetonitrile
Work with α-Phenyl-2-pyridineacetonitrile
Similar compounds
Diphenylacetonitrile86-29-359 % similar
(+)-Mandelonitrile10020-96-944 % similar
Mandelonitrile532-28-544 % similar
Alpha-Phenyl-2-pyridineacetamide7251-52-744 % similar
2,3-Diphenylbutanedinitrile15146-07-343 % similar
(±)-Pheniramine86-21-541 % similar
(R)-2-(1-Hydroxyethyl)pyridine27911-63-340 % similar
1-Pyridin-2-yl-ethylamine42088-91-540 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds