4-(Benzyloxy)phenyl isocyanate

C₁₄H₁₁NO₂CAS 50528-73-9225.25 g/mol

Open in Covalent MOL file

Ether Isocyanate

Properties

Molecular formula: C₁₄H₁₁NO₂
Molar mass: 225.25 g/mol
Exact mass: 225.0790 Da
logP: 3.23Crippen estimate
Polar surface area: 38.7 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Hazards

Warning

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
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

50528-73-9

SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=O

InChIKey

HFIHSWMJFCMLJE-UHFFFAOYSA-N

InChI

InChI=1S/C14H11NO2/c16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12/h1-9H,10H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Benzyloxyphenyl isocyanate

Work with 4-(Benzyloxy)phenyl isocyanate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Benzyloxyphenyl isothiocyanate139768-71-167 % similar 4-Phenoxyphenyl isocyanate59377-19-462 % similar Hydroquinone dibenzyl ether621-91-060 % similar 1-Ethoxy-4-isocyanatobenzene32459-62-458 % similar Phenyl isocyanate103-71-955 % similar Benzyl phenyl ether946-80-555 % similar 4-Benzyloxychlorobenzene7700-27-854 % similar 4-Benzyloxyaniline6373-46-251 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-2-Hydroxy-2-(3-phenoxyphenyl)acetonitrile61826-76-4

Elsewhere

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