3-Methoxybenzonitrile
Properties
- Molecular formula
- C8H7NO
- Molar mass
- 133.15 g/mol
- Exact mass
- 133.0528 Da
- Boiling point
- 164–165 °C (at 20 Torr)
- logP
- 1.57Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled97.8% of notifiers
- H335 May cause respiratory irritation87% of notifiers
Aggregated from 46 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1527-89-5SMILES
COc1cccc(C#N)c1InChIKey
KLXSUMLEPNAZFK-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO/c1-10-8-4-2-3-7(5-8)6-9/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzonitrile, 3-methoxy-
- m-Anisonitrile
- m-Methoxybenzonitrile
- m-Cyanoanisole
- 3-Cyanoanisole
- NSC 225049
Work with 3-Methoxybenzonitrile
Similar compounds
3,5-Dimethoxybenzonitrile19179-31-864 % similar
6-Methoxynaphthalene-2-carbonitrile67886-70-863 % similar
3-Methoxyphenylacetylene768-70-761 % similar
3-Ethoxybenzonitrile25117-75-361 % similar
3-(Difluoromethoxy)benzonitrile97582-88-261 % similar
4-Methoxybenzonitrile874-90-859 % similar
1,3-Dimethoxybenzene151-10-058 % similar
Isophthalonitrile626-17-558 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.