o-Phenylenediacetonitrile
Properties
- Molecular formula
- C10H8N2
- Molar mass
- 156.19 g/mol
- Exact mass
- 156.0687 Da
- logP
- 1.82Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed88.9% of notifiers
- H312 Harmful in contact with skin74.1% of notifiers
- H332 Harmful if inhaled72.2% of notifiers
Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
613-23-0SMILES
C1=CC=C(C(=C1)CC#N)CC#NInChIKey
FWPFXBANOKKNBR-UHFFFAOYSA-NInChI
InChI=1S/C10H8N2/c11-7-5-9-3-1-2-4-10(9)6-8-12/h1-4H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 1,2-Phenylenediacetonitrile
Work with o-Phenylenediacetonitrile
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
(2-Bromophenyl)acetonitrile19472-74-368 % similar
2-Methylphenylacetonitrile22364-68-765 % similar
(2-Chlorophenyl)acetonitrile2856-63-565 % similar
Phenylglycine nitrile2973-50-465 % similar
2-Fluorobenzeneacetonitrile326-62-565 % similar
2-Cyanobenzeneacetonitrile3759-28-265 % similar
2-Iodophenylacetonitrile40400-15-565 % similar
1-Naphthaleneacetonitrile132-75-263 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.