4-Phenoxyphenyl isocyanate
Properties
- Molecular formula
- C13H9NO2
- Molar mass
- 211.22 g/mol
- Exact mass
- 211.0633 Da
- logP
- 3.45Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin88.9% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled11.1% of notifiers
- H332 Harmful if inhaled88.9% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
59377-19-4SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=OInChIKey
PNBUGOFIKAHZRW-UHFFFAOYSA-NInChI
InChI=1S/C13H9NO2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Phenoxyphenyl isocyanate
Similar compounds
Phenyl isocyanate103-71-965 % similar
4-(Benzyloxy)phenyl isocyanate50528-73-962 % similar
1-Isothiocyanato-4-phenoxybenzene3529-87-161 % similar
p-Phenylene diisocyanate104-49-460 % similar
4-Methoxyphenyl isocyanate5416-93-358 % similar
1-Ethoxy-4-isocyanatobenzene32459-62-453 % similar
4-(Trifluoromethoxy)phenyl isocyanate35037-73-153 % similar
Tris(p-isocyanatophenyl) monosulfophosphate4151-51-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.