4-Methylphthalonitrile
Properties
- Molecular formula
- C9H6N2
- Molar mass
- 142.16 g/mol
- Exact mass
- 142.0531 Da
- logP
- 1.74Crippen estimate
- Polar surface area
- 47.6 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed97.5% of notifiers
- H312 Harmful in contact with skin97.5% of notifiers
- H332 Harmful if inhaled97.5% of notifiers
Aggregated from 40 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
63089-50-9SMILES
CC1=CC(=C(C=C1)C#N)C#NInChIKey
MDXGRFMFORMPGT-UHFFFAOYSA-NInChI
InChI=1S/C9H6N2/c1-7-2-3-8(5-10)9(4-7)6-11/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Methylphthalonitrile
Similar compounds
2,5-Dimethylbenzonitrile13730-09-172 % similar
2,4-Dimethylbenzonitrile21789-36-669 % similar
2-Amino-4-methylbenzonitrile26830-96-664 % similar
2-Bromo-4-methylbenzonitrile42872-73-164 % similar
2-Bromo-5-methylbenzonitrile42872-83-364 % similar
2-Amino-5-methylbenzonitrile5925-93-964 % similar
2-Fluoro-5-methylbenzonitrile64113-84-464 % similar
2-Fluoro-4-methylbenzonitrile85070-67-364 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.