1-Naphthyl isocyanate
Properties
- Molecular formula
- C11H7NO
- Molar mass
- 169.18 g/mol
- Exact mass
- 169.0528 Da
- Melting point
- below 25 °C
- Boiling point
- 269 °C
- logP
- 2.81Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled73.6% of notifiers
- H302 Harmful if swallowed77.4% of notifiers
- H312 Harmful in contact with skin77.4% of notifiers
- H315 Causes skin irritation94.3% of notifiers
- H319 Causes serious eye irritation88.7% of notifiers
- H331 Toxic if inhaled11.3% of notifiers
- H332 Harmful if inhaled86.8% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled98.1% of notifiers
- H335 May cause respiratory irritation98.1% of notifiers
Aggregated from 53 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
86-84-0SMILES
O=C=Nc1cccc2ccccc12InChIKey
BDQNKCYCTYYMAA-UHFFFAOYSA-NInChI
InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Naphthalene, 1-isocyanato-
- Isocyanic acid, 1-naphthyl ester
- 1-Isocyanatonaphthalene
- α-Naphthyl isocyanate
- 1-Naphthalene isocyanate
- Naphthalen-1-ylisocyanate
- NSC 4023
- Alpha-Naphthyl isocyanate
Work with 1-Naphthyl 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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,5-Naphthalene diisocyanate3173-72-676 % similar
1-Naphthyl isothiocyanate551-06-460 % similar
2-Chlorophenyl isocyanate3320-83-057 % similar
2-Bromophenyl isocyanate1592-00-353 % similar
Toluene 2,6-diisocyanate91-08-753 % similar
1-Iodo-2-isocyanatobenzene128255-31-252 % similar
2-Fluorophenyl isocyanate16744-98-252 % similar
2-Methylphenyl isocyanate614-68-652 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.