N-Heptyl isocyanate
Properties
- Molecular formula
- C8H15NO
- Molar mass
- 141.21 g/mol
- Exact mass
- 141.1154 Da
- logP
- 2.29Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 6
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin88.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage88.6% of notifiers
- H319 Causes serious eye irritation11.4% of notifiers
- H332 Harmful if inhaled97.7% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled11.4% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 44 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
4747-81-3SMILES
CCCCCCCN=C=OInChIKey
RFXBSYPBSRSQDU-UHFFFAOYSA-NInChI
InChI=1S/C8H15NO/c1-2-3-4-5-6-7-9-8-10/h2-7H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Work with N-Heptyl isocyanate
Similar compounds
Octadecyl isocyanate112-96-9100 % similar
Undecyl isocyanate2411-58-7100 % similar
Hexyl isocyanate2525-62-4100 % similar
Octyl isocyanate3158-26-7100 % similar
Dodecyl isocyanate4202-38-4100 % similar
Pentyl isocyanate3954-13-095 % similar
Butyl isocyanate111-36-482 % similar
Hexamethylene diisocyanate822-06-071 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.