4-Formyl-3-methoxybenzonitrile
Properties
- Molecular formula
- C9H7NO2
- Molar mass
- 161.16 g/mol
- Exact mass
- 161.0477 Da
- Melting point
- 109–111 °C
- logP
- 1.38Crippen estimate
- Polar surface area
- 50.1 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
- H302 Harmful if swallowed16.7% of notifiers
- H312 Harmful in contact with skin16.7% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled16.7% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H412 Harmful to aquatic life with long lasting effects50% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, 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
21962-45-8SMILES
COc1cc(C#N)ccc1C=OInChIKey
ZXENVSJZOHXCKL-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzonitrile, 4-formyl-3-methoxy-
- Terephthalaldehydonitrile, 3-methoxy-
- 2-Methoxy-4-cyanobenzaldehyde
- 4-Cyano-2-methoxybenzaldehyde
Work with 4-Formyl-3-methoxybenzonitrile
Similar compounds
3,4-Dimethoxybenzonitrile2024-83-164 % similar
3,3'-Dimethoxy-[1,1'-biphenyl]-4,4'-dicarbaldehyde27343-98-260 % similar
4-Hydroxy-2-methoxybenzaldehyde18278-34-759 % similar
4-Hydroxy-3-methoxybenzonitrile4421-08-359 % similar
2,4-Dimethoxybenzaldehyde613-45-658 % similar
3-Methoxy-4-methylbenzonitrile3556-60-357 % similar
3-Fluoro-4-formylbenzonitrile105942-10-755 % similar
4-Fluoro-3-methoxybenzonitrile243128-37-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.