4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile
Properties
- Molecular formula
- C15H13NO
- Molar mass
- 223.28 g/mol
- Exact mass
- 223.0997 Da
- logP
- 3.62Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from the 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, P321, P330, P332+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
58743-78-5SMILES
CCOc1ccc(-c2ccc(C#N)cc2)cc1InChIKey
VETJRGXWDLHERN-UHFFFAOYSA-NInChI
InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- [1,1′-Biphenyl]-4-carbonitrile, 4′-ethoxy-
- 4-Ethoxy-4′-cyanobiphenyl
- 4′-Ethoxy-[1,1′-biphenyl]-4-carbonitrile
Work with 4′-Ethoxy[1,1′-biphenyl]-4-carbonitrile
Similar compounds
4-Ethoxybenzonitrile25117-74-289 % similar
4′-Propoxy[1,1′-biphenyl]-4-carbonitrile52709-86-175 % similar
4′-Butoxy[1,1′-biphenyl]-4-carbonitrile52709-87-271 % similar
4′-(Pentyloxy)-4-cyanobiphenyl52364-71-369 % similar
4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-767 % similar
4′-(Heptyloxy)[1,1′-biphenyl]-4-carbonitrile52364-72-467 % similar
4′-(Octyloxy)-4-cyanobiphenyl52364-73-567 % similar
4-Butoxybenzonitrile5203-14-562 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.