3-Methoxy-4-methylbenzonitrile
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Melting point
- 51–52.5 °C
- logP
- 1.88Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed66.7% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin66.7% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled66.7% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3556-60-3SMILES
COc1cc(C#N)ccc1CInChIKey
QLJZMAGXHHXXMS-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c1-7-3-4-8(6-10)5-9(7)11-2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzonitrile, 3-methoxy-4-methyl-
- m-Anisonitrile, 4-methyl-
- 3-Methoxy-4-methylcyanobenzene
- 4-Methyl-3-methoxybenzonitrile
Work with 3-Methoxy-4-methylbenzonitrile
Similar compounds
3,4-Dimethoxybenzonitrile2024-83-172 % similar
4-Fluoro-3-methoxybenzonitrile243128-37-262 % similar
4-Hydroxy-3-methoxybenzonitrile4421-08-362 % similar
3,4-Dimethylbenzonitrile22884-95-360 % similar
3-Ethoxy-4-methoxybenzonitrile60758-86-358 % similar
3-Amino-4-methylbenzonitrile60710-80-758 % similar
3-Chloro-4-methoxybenzonitrile102151-33-757 % similar
3-Bromo-4-methoxybenzonitrile117572-79-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.