3-Bromo-4-methoxyphenylacetonitrile
Properties
- Molecular formula
- C9H8BrNO
- Molar mass
- 226.07 g/mol
- Exact mass
- 224.9789 Da
- logP
- 2.52Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302+H312 Harmful if swallowed or in contact with skin82.6% of notifiers
- H302 Harmful if swallowed95.7% of notifiers
- H312 Harmful in contact with skin95.7% of notifiers
- H332 Harmful if inhaled95.7% of notifiers
Aggregated from 46 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
772-59-8SMILES
COC1=C(C=C(C=C1)CC#N)BrInChIKey
OBJKHHRZMIIEOK-UHFFFAOYSA-NInChI
InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Bromo-4-methoxyphenylacetonitrile
Similar compounds
3,4-Dimethoxybenzeneacetonitrile93-17-471 % similar
3-Fluoro-4-methoxyphenylacetonitrile404-90-063 % similar
3-Bromo-4-hydroxy-5-methoxyphenylacetonitrile81038-44-063 % similar
(4-Hydroxy-3-methoxyphenyl)acetonitrile4468-59-159 % similar
2-Bromo-4,5-dimethoxyphenylacetonitrile51655-39-158 % similar
4-Benzyloxy-3-methoxyphenylacetonitrile1700-29-457 % similar
3-Bromo-4-methoxybenzonitrile117572-79-955 % similar
2-(3-Bromo-4-fluorophenyl)acetonitrile501420-63-955 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.